[(1R,2S)-2-[[6-acetyl-5-[3-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)anilino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-2-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[4-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-5-yl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]amino]cyclohexyl]azanium

C138H154N39O17S12+5 — CID 167692097

IUPAC[(1R,2S)-2-[[6-acetyl-5-[3-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)anilino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-2-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[4-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-5-yl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]amino]cyclohexyl]azanium
SMILESCC(=O)c1ncc(N[C@H]2CCCC[C@H]2[NH3+])cc1Nc1cccc(-c2coc3c(=O)cc(N4CCOCC4)sc23)c1.NC(=O)c1c(Nc2csc(-c3csc4c(=O)cc(N5CCOCC5)oc34)c2)nc(N[C@H]2CCCC[C@H]2[NH3+])n2ccnc12.NC(=O)c1c(Nc2csc(-c3csc4c(=O)cc(N5CCOCC5)sc34)c2)nc(N[C@H]2CCCC[C@H]2[NH3+])n2ccnc12.NC(=O)c1c(Nc2ncc(-c3csc4c(=O)cc(N5CCOCC5)sc34)s2)nc(N[C@H]2CCCC[C@H]2[NH3+])n2ncnc12.[NH3+][C@@H]1CCCC[C@@H]1Nc1nc2c(c(Nc3cnc(-c4csc5c(=O)cc(N6CCOCC6)sc45)s3)n1)C(=O)NC2
InChIInChI=1S/C30H33N5O4S.C28H30N8O4S2.C28H30N8O3S3.C26H28N10O3S3.C26H28N8O3S3/c1-18(36)28-25(14-21(16-32-28)34-24-8-3-2-7-23(24)31)33-20-6-4-5-19(13-20)22-17-39-29-26(37)15-27(40-30(22)29)35-9-11-38-12-10-35;29-17-3-1-2-4-18(17)33-28-34-26(22(25(30)38)27-31-5-6-36(27)28)32-15-11-20(41-13-15)16-14-42-24-19(37)12-21(40-23(16)24)35-7-9-39-10-8-35;29-17-3-1-2-4-18(17)33-28-34-26(22(25(30)38)27-31-5-6-36(27)28)32-15-11-20(40-13-15)16-14-41-24-19(37)12-21(42-23(16)24)35-7-9-39-10-8-35;27-14-3-1-2-4-15(14)32-25-33-23(19(22(28)38)24-30-12-31-36(24)25)34-26-29-10-17(41-26)13-11-40-21-16(37)9-18(42-20(13)21)35-5-7-39-8-6-35;27-14-3-1-2-4-15(14)30-26-31-16-10-28-24(36)20(16)23(33-26)32-18-11-29-25(39-18)13-12-38-22-17(35)9-19(40-21(13)22)34-5-7-37-8-6-34/h4-6,13-17,23-24,33-34H,2-3,7-12,31H2,1H3;2*5-6,11-14,17-18,32H,1-4,7-10,29H2,(H2,30,38)(H,33,34);9-12,14-15H,1-8,27H2,(H2,28,38)(H,29,34)(H,32,33);9,11-12,14-15H,1-8,10,27H2,(H,28,36)(H2,30,31,32,33)/p+5/t23-,24+;2*17-,18+;2*14-,15+/m11111/s1
InChIKeyXCGCXRMTYWMDDC-LHKKVMSNSA-S
MW3015.81 g/mol
LogP17.23
Rot. Bonds34

About [(1R,2S)-2-[[6-acetyl-5-[3-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)anilino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-2-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[4-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-5-yl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]amino]cyclohexyl]azanium

[(1R,2S)-2-[[6-acetyl-5-[3-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)anilino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-2-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[4-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-5-yl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]amino]cyclohexyl]azanium (PubChem CID 167692097) has the molecular formula C138H154N39O17S12+5 and a molecular weight of 3015.81 g/mol. Its IUPAC name is [(1R,2S)-2-[[6-acetyl-5-[3-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)anilino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-2-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[4-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-5-yl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]amino]cyclohexyl]azanium.

Molecular Properties

Compound Name[(1R,2S)-2-[[6-acetyl-5-[3-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)anilino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-2-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[4-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-5-yl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]amino]cyclohexyl]azanium
PubChem CID167692097
Molecular FormulaC138H154N39O17S12+5
Molecular Weight3015.81 g/mol
Exact Mass3012.90
IUPAC Name[(1R,2S)-2-[[6-acetyl-5-[3-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)anilino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-2-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[4-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-5-yl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]amino]cyclohexyl]azanium
SMILESCC(=O)c1ncc(N[C@H]2CCCC[C@H]2[NH3+])cc1Nc1cccc(-c2coc3c(=O)cc(N4CCOCC4)sc23)c1.NC(=O)c1c(Nc2csc(-c3csc4c(=O)cc(N5CCOCC5)oc34)c2)nc(N[C@H]2CCCC[C@H]2[NH3+])n2ccnc12.NC(=O)c1c(Nc2csc(-c3csc4c(=O)cc(N5CCOCC5)sc34)c2)nc(N[C@H]2CCCC[C@H]2[NH3+])n2ccnc12.NC(=O)c1c(Nc2ncc(-c3csc4c(=O)cc(N5CCOCC5)sc34)s2)nc(N[C@H]2CCCC[C@H]2[NH3+])n2ncnc12.[NH3+][C@@H]1CCCC[C@@H]1Nc1nc2c(c(Nc3cnc(-c4csc5c(=O)cc(N6CCOCC6)sc45)s3)n1)C(=O)NC2
InChIInChI=1S/C30H33N5O4S.C28H30N8O4S2.C28H30N8O3S3.C26H28N10O3S3.C26H28N8O3S3/c1-18(36)28-25(14-21(16-32-28)34-24-8-3-2-7-23(24)31)33-20-6-4-5-19(13-20)22-17-39-29-26(37)15-27(40-30(22)29)35-9-11-38-12-10-35;29-17-3-1-2-4-18(17)33-28-34-26(22(25(30)38)27-31-5-6-36(27)28)32-15-11-20(41-13-15)16-14-42-24-19(37)12-21(40-23(16)24)35-7-9-39-10-8-35;29-17-3-1-2-4-18(17)33-28-34-26(22(25(30)38)27-31-5-6-36(27)28)32-15-11-20(40-13-15)16-14-41-24-19(37)12-21(42-23(16)24)35-7-9-39-10-8-35;27-14-3-1-2-4-15(14)32-25-33-23(19(22(28)38)24-30-12-31-36(24)25)34-26-29-10-17(41-26)13-11-40-21-16(37)9-18(42-20(13)21)35-5-7-39-8-6-35;27-14-3-1-2-4-15(14)30-26-31-16-10-28-24(36)20(16)23(33-26)32-18-11-29-25(39-18)13-12-38-22-17(35)9-19(40-21(13)22)34-5-7-37-8-6-34/h4-6,13-17,23-24,33-34H,2-3,7-12,31H2,1H3;2*5-6,11-14,17-18,32H,1-4,7-10,29H2,(H2,30,38)(H,33,34);9-12,14-15H,1-8,27H2,(H2,28,38)(H,29,34)(H,32,33);9,11-12,14-15H,1-8,10,27H2,(H,28,36)(H2,30,31,32,33)/p+5/t23-,24+;2*17-,18+;2*14-,15+/m11111/s1
InChIKeyXCGCXRMTYWMDDC-LHKKVMSNSA-S
XLogP17.23
TPSA775.83 Ų
H-Bond Donors19
H-Bond Acceptors59
Rotatable Bonds34
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003015.81
LogP ≤ 517.23
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1059

Analyze [(1R,2S)-2-[[6-acetyl-5-[3-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)anilino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-2-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[4-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-5-yl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]amino]cyclohexyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1,5-dimethylpyrazole-3-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylimidazole-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[3-[[(4,5-dimethylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide
CID 158772638
4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;3-(3H-inden-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-benzofuran-2-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea
CID 158964444
4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-[1-(3-fluorophenyl)pyrazol-3-yl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone;3-(3H-inden-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-benzofuran-2-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea
CID 159390868
N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;6-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;5-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrazole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 159564429
6-amino-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyrazine-2-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;5-methyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;4-phenyl-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(3H-pyrazole-4-carbonylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide;N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 159840038
N-[3-[(5-tert-butylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(3-phenylfuran-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;5-thiophen-2-yl-N-[3-([1,2,4]triazolo[1,5-a]pyridine-2-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-thiophen-2-yl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide
CID 160671798
CID 162248938
CID 162248938
5-(1,3-benzothiazol-5-yl)-N-[(1S)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1,3-benzothiazol-5-yl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(furan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(furan-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-isocyanofuran-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4-isocyanothiophen-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164107750
8-amino-N-ethyl-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;8-amino-N-methyl-2-(5-methylfuran-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[4-amino-2-(5-methylthiophen-2-yl)pyrazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone
CID 157068617
methane;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylfuro[3,2-b]pyridin-7-amine;3-propan-2-ylimidazo[1,2-b]pyridazin-8-amine;9-propan-2-ylpurin-6-amine;7-propan-2-ylpyrrolo[1,2-b]pyridazin-4-amine;7-propan-2-yl-5H-pyrrolo[3,4-b]pyridin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-ylthieno[3,2-b]pyridin-7-amine;7-propan-2-ylthieno[3,4-b]pyridin-4-amine
CID 157201546
tris(6H-cyclopenta[b]pyrazine);5H-cyclopenta[c]pyridazine;tris(6H-cyclopenta[c]pyridazine);5H-cyclopenta[d]pyrimidine;furo[2,3-b]pyrazine;furo[2,3-c]pyridazine;furo[3,2-c]pyridazine;furo[2,3-d]pyridazine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;pyrrolo[1,2-b]pyridazine;7H-pyrrolo[2,3-c]pyridazine;pyrrolo[1,2-c]pyrimidine;1H-pyrrolo[2,3-d]pyridazine;7H-pyrrolo[2,3-d]pyrimidine;thieno[2,3-b]pyrazine;thieno[2,3-c]pyridazine;thieno[3,2-c]pyridazine;thieno[2,3-d]pyridazine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine
CID 157241333
1-ethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzotriazole-5-carboxamide;1-(3H-isoindol-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-(methoxymethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 157274568

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[[6-acetyl-5-[3-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)anilino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-2-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[4-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-5-yl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]amino]cyclohexyl]azanium?
The IUPAC name of [(1R,2S)-2-[[6-acetyl-5-[3-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)anilino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-2-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[4-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-5-yl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]amino]cyclohexyl]azanium (CID 167692097) is [(1R,2S)-2-[[6-acetyl-5-[3-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)anilino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-2-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[4-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-5-yl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]amino]cyclohexyl]azanium.
What is the SMILES notation for [(1R,2S)-2-[[6-acetyl-5-[3-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)anilino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-2-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[4-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-5-yl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]amino]cyclohexyl]azanium?
The canonical SMILES for [(1R,2S)-2-[[6-acetyl-5-[3-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)anilino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-2-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[4-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-5-yl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]amino]cyclohexyl]azanium is CC(=O)c1ncc(N[C@H]2CCCC[C@H]2[NH3+])cc1Nc1cccc(-c2coc3c(=O)cc(N4CCOCC4)sc23)c1.NC(=O)c1c(Nc2csc(-c3csc4c(=O)cc(N5CCOCC5)oc34)c2)nc(N[C@H]2CCCC[C@H]2[NH3+])n2ccnc12.NC(=O)c1c(Nc2csc(-c3csc4c(=O)cc(N5CCOCC5)sc34)c2)nc(N[C@H]2CCCC[C@H]2[NH3+])n2ccnc12.NC(=O)c1c(Nc2ncc(-c3csc4c(=O)cc(N5CCOCC5)sc34)s2)nc(N[C@H]2CCCC[C@H]2[NH3+])n2ncnc12.[NH3+][C@@H]1CCCC[C@@H]1Nc1nc2c(c(Nc3cnc(-c4csc5c(=O)cc(N6CCOCC6)sc45)s3)n1)C(=O)NC2.
What is the InChIKey of [(1R,2S)-2-[[6-acetyl-5-[3-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)anilino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-2-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[4-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-5-yl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]amino]cyclohexyl]azanium?
The InChIKey is XCGCXRMTYWMDDC-LHKKVMSNSA-S. The full InChI is InChI=1S/C30H33N5O4S.C28H30N8O4S2.C28H30N8O3S3.C26H28N10O3S3.C26H28N8O3S3/c1-18(36)28-25(14-21(16-32-28)34-24-8-3-2-7-23(24)31)33-20-6-4-5-19(13-20)22-17-39-29-26(37)15-27(40-30(22)29)35-9-11-38-12-10-35;29-17-3-1-2-4-18(17)33-28-34-26(22(25(30)38)27-31-5-6-36(27)28)32-15-11-20(41-13-15)16-14-42-24-19(37)12-21(40-23(16)24)35-7-9-39-10-8-35;29-17-3-1-2-4-18(17)33-28-34-26(22(25(30)38)27-31-5-6-36(27)28)32-15-11-20(40-13-15)16-14-41-24-19(37)12-21(42-23(16)24)35-7-9-39-10-8-35;27-14-3-1-2-4-15(14)32-25-33-23(19(22(28)38)24-30-12-31-36(24)25)34-26-29-10-17(41-26)13-11-40-21-16(37)9-18(42-20(13)21)35-5-7-39-8-6-35;27-14-3-1-2-4-15(14)30-26-31-16-10-28-24(36)20(16)23(33-26)32-18-11-29-25(39-18)13-12-38-22-17(35)9-19(40-21(13)22)34-5-7-37-8-6-34/h4-6,13-17,23-24,33-34H,2-3,7-12,31H2,1H3;2*5-6,11-14,17-18,32H,1-4,7-10,29H2,(H2,30,38)(H,33,34);9-12,14-15H,1-8,27H2,(H2,28,38)(H,29,34)(H,32,33);9,11-12,14-15H,1-8,10,27H2,(H,28,36)(H2,30,31,32,33)/p+5/t23-,24+;2*17-,18+;2*14-,15+/m11111/s1.
What are the key properties of [(1R,2S)-2-[[6-acetyl-5-[3-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)anilino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-2-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[4-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-5-yl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]amino]cyclohexyl]azanium?
[(1R,2S)-2-[[6-acetyl-5-[3-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)anilino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-2-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[4-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-5-yl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]amino]cyclohexyl]azanium has a molecular weight of 3015.81 g/mol, XLogP of 17.23, 34 rotatable bonds, 19 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[[6-acetyl-5-[3-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)anilino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-2-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[4-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-5-yl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]amino]cyclohexyl]azanium is sourced from PubChem (CID 167692097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).