N-(2,2-difluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(2-fluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide

C131H141F3N38O18S6 — CID 157391457

IUPACN-(2,2-difluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(2-fluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide
SMILESCCNC(=O)c1csc(Cc2nc(OC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)c1.CNC(=O)c1cc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.CNC(=O)c1csc(Cc2nc(OC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)c1.CNC(=O)c1csc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)n1.Cn1cc(-n2ccc3nc(Cc4cc(C(=O)NCC(F)F)cs4)nc(OC4CCOCC4)c32)cn1.Cn1cc(-n2ccc3nc(Cc4cc(C(=O)NCCF)cs4)nc(OC4CCOCC4)c32)cn1
InChIInChI=1S/C23H24F2N6O3S.C23H25FN6O3S.C23H26N6O3S.C22H24N6O3S.2C20H21N7O3S/c1-30-12-15(10-27-30)31-5-2-18-21(31)23(34-16-3-6-33-7-4-16)29-20(28-18)9-17-8-14(13-35-17)22(32)26-11-19(24)25;1-29-13-16(12-26-29)30-7-2-19-21(30)23(33-17-3-8-32-9-4-17)28-20(27-19)11-18-10-15(14-34-18)22(31)25-6-5-24;1-3-24-22(30)15-10-18(33-14-15)11-20-26-19-4-7-29(16-12-25-28(2)13-16)21(19)23(27-20)32-17-5-8-31-9-6-17;1-23-21(29)14-9-17(32-13-14)10-19-25-18-3-6-28(15-11-24-27(2)12-15)20(18)22(26-19)31-16-4-7-30-8-5-16;1-21-19(28)16-7-14(31-25-16)8-17-23-15-3-5-27(12-9-22-26(2)10-12)18(15)20(24-17)30-13-4-6-29-11-13;1-21-19(28)15-11-31-17(24-15)7-16-23-14-3-5-27(12-8-22-26(2)9-12)18(14)20(25-16)30-13-4-6-29-10-13/h2,5,8,10,12-13,16,19H,3-4,6-7,9,11H2,1H3,(H,26,32);2,7,10,12-14,17H,3-6,8-9,11H2,1H3,(H,25,31);4,7,10,12-14,17H,3,5-6,8-9,11H2,1-2H3,(H,24,30);3,6,9,11-13,16H,4-5,7-8,10H2,1-2H3,(H,23,29);3,5,7,9-10,13H,4,6,8,11H2,1-2H3,(H,21,28);3,5,8-9,11,13H,4,6-7,10H2,1-2H3,(H,21,28)/t;;;;2*13-/m....00/s1
InChIKeyBMBCTDKRPNJJAV-BKOJSBFESA-N
MW2785.21 g/mol
LogP15.72
Rot. Bonds41

About N-(2,2-difluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(2-fluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide

N-(2,2-difluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(2-fluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide (PubChem CID 157391457) has the molecular formula C131H141F3N38O18S6 and a molecular weight of 2785.21 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(2-fluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(2-fluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide
PubChem CID157391457
Molecular FormulaC131H141F3N38O18S6
Molecular Weight2785.21 g/mol
Exact Mass2782.96
IUPAC NameN-(2,2-difluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(2-fluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide
SMILESCCNC(=O)c1csc(Cc2nc(OC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)c1.CNC(=O)c1cc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.CNC(=O)c1csc(Cc2nc(OC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)c1.CNC(=O)c1csc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)n1.Cn1cc(-n2ccc3nc(Cc4cc(C(=O)NCC(F)F)cs4)nc(OC4CCOCC4)c32)cn1.Cn1cc(-n2ccc3nc(Cc4cc(C(=O)NCCF)cs4)nc(OC4CCOCC4)c32)cn1
InChIInChI=1S/C23H24F2N6O3S.C23H25FN6O3S.C23H26N6O3S.C22H24N6O3S.2C20H21N7O3S/c1-30-12-15(10-27-30)31-5-2-18-21(31)23(34-16-3-6-33-7-4-16)29-20(28-18)9-17-8-14(13-35-17)22(32)26-11-19(24)25;1-29-13-16(12-26-29)30-7-2-19-21(30)23(33-17-3-8-32-9-4-17)28-20(27-19)11-18-10-15(14-34-18)22(31)25-6-5-24;1-3-24-22(30)15-10-18(33-14-15)11-20-26-19-4-7-29(16-12-25-28(2)13-16)21(19)23(27-20)32-17-5-8-31-9-6-17;1-23-21(29)14-9-17(32-13-14)10-19-25-18-3-6-28(15-11-24-27(2)12-15)20(18)22(26-19)31-16-4-7-30-8-5-16;1-21-19(28)16-7-14(31-25-16)8-17-23-15-3-5-27(12-9-22-26(2)10-12)18(15)20(24-17)30-13-4-6-29-11-13;1-21-19(28)15-11-31-17(24-15)7-16-23-14-3-5-27(12-8-22-26(2)9-12)18(14)20(25-16)30-13-4-6-29-10-13/h2,5,8,10,12-13,16,19H,3-4,6-7,9,11H2,1H3,(H,26,32);2,7,10,12-14,17H,3-6,8-9,11H2,1H3,(H,25,31);4,7,10,12-14,17H,3,5-6,8-9,11H2,1-2H3,(H,24,30);3,6,9,11-13,16H,4-5,7-8,10H2,1-2H3,(H,23,29);3,5,7,9-10,13H,4,6,8,11H2,1-2H3,(H,21,28);3,5,8-9,11,13H,4,6-7,10H2,1-2H3,(H,21,28)/t;;;;2*13-/m....00/s1
InChIKeyBMBCTDKRPNJJAV-BKOJSBFESA-N
XLogP15.72
TPSA602.32 Ų
H-Bond Donors6
H-Bond Acceptors56
Rotatable Bonds41
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002785.21
LogP ≤ 515.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1056

Analyze N-(2,2-difluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(2-fluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide 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

5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 154827167
N-[(1-methylpiperidin-4-yl)methyl]-5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]thiophene-3-carboxamide
CID 154827170
5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylthiophene-3-carboxamide
CID 154827174
5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 135129147
N-(2-fluoroethyl)-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide
CID 157237926
N-(2-fluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide
CID 157391458
N-(2,2-difluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide
CID 157391459
1-benzofuran;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrazin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2,4-dimethyl-1,3-thiazole;2-ethyl-6-methoxypyridine;N-ethyl-N-methyl-1,3-thiazol-2-amine;2-fluoro-3-methylpyridine;2-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyrazine;2-methylpyridine;tris(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-propylpyrazole;1H-pyrido[3,4-b][1,4]thiazine;2-pyrrolidin-1-yl-1,3-thiazole;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 157457452
2-ethyl-N-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;1-methyl-5-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;2-methyl-5-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;4-methyl-5-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;5-methyl-7-(propan-2-ylamino)pyrido[2,3-b]pyrazin-6-one;6-methyl-N-propan-2-ylthieno[2,3-c]pyridazin-3-amine;4-methyl-N-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-amine;5-methylsulfanyl-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;2-(propan-2-ylamino)-4H-pyrido[2,3-b]pyrazin-3-one;7-(propan-2-ylamino)-5H-pyrido[3,2-d]pyrimidin-6-one;7-(propan-2-ylamino)-2-(trifluoromethyl)-5H-pyrido[3,2-d]pyrimidin-6-one;N-propan-2-yl-1,2,3-benzothiadiazol-6-amine;N-propan-2-ylthiadiazolo[4,5-b]pyridin-6-amine;N-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;N-propan-2-ylthieno[3,2-c]pyridazin-3-amine;N-propan-2-yl-6-(trifluoromethyl)furo[3,2-c]pyridazin-3-amine
CID 158077376
1-(1-cyclopropyl-5-methylpyrazol-4-yl)-5-methyl-3-(2-methylpropyl)pyridin-2-one;bis(2-cyclopropyloxy-5-methyl-N-propan-2-ylpyridin-3-amine);2-(1,1-difluoroethyl)-N-propan-2-ylpyridin-3-amine;1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(2-methylpropyl)pyridin-2-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-methylpropyl)pyridin-2-one;2-(2-methoxyethoxy)-5-methyl-3-(2-methylpropyl)pyridine;2-methoxy-5-methyl-N-propan-2-ylpyridin-3-amine;5-methyl-1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridine;6-methyl-4-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one;bis(5-methyl-N-propan-2-yl-2-propan-2-yloxypyridin-3-amine);3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyridin-2-one
CID 158492333
CID 158736564
CID 158736564
1-(1-cyclopropyl-5-methylpyrazol-4-yl)-5-methyl-3-(2-methylpropyl)pyridin-2-one;bis(2-cyclopropyloxy-5-methyl-N-propan-2-ylpyridin-3-amine);2-(1,1-difluoroethyl)-N-propan-2-ylpyridin-3-amine;1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(2-methylpropyl)pyridin-2-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-methylpropyl)pyridin-2-one;2-(2-methoxyethoxy)-5-methyl-3-(2-methylpropyl)pyridine;5-methyl-1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridine;6-methyl-4-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one;bis(5-methyl-N-propan-2-yl-2-propan-2-yloxypyridin-3-amine);3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyridin-2-one
CID 158807725

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(2-fluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(2-fluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide (CID 157391457) is N-(2,2-difluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(2-fluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(2-fluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(2-fluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide is CCNC(=O)c1csc(Cc2nc(OC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)c1.CNC(=O)c1cc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.CNC(=O)c1csc(Cc2nc(OC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)c1.CNC(=O)c1csc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)n1.Cn1cc(-n2ccc3nc(Cc4cc(C(=O)NCC(F)F)cs4)nc(OC4CCOCC4)c32)cn1.Cn1cc(-n2ccc3nc(Cc4cc(C(=O)NCCF)cs4)nc(OC4CCOCC4)c32)cn1.
What is the InChIKey of N-(2,2-difluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(2-fluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide?
The InChIKey is BMBCTDKRPNJJAV-BKOJSBFESA-N. The full InChI is InChI=1S/C23H24F2N6O3S.C23H25FN6O3S.C23H26N6O3S.C22H24N6O3S.2C20H21N7O3S/c1-30-12-15(10-27-30)31-5-2-18-21(31)23(34-16-3-6-33-7-4-16)29-20(28-18)9-17-8-14(13-35-17)22(32)26-11-19(24)25;1-29-13-16(12-26-29)30-7-2-19-21(30)23(33-17-3-8-32-9-4-17)28-20(27-19)11-18-10-15(14-34-18)22(31)25-6-5-24;1-3-24-22(30)15-10-18(33-14-15)11-20-26-19-4-7-29(16-12-25-28(2)13-16)21(19)23(27-20)32-17-5-8-31-9-6-17;1-23-21(29)14-9-17(32-13-14)10-19-25-18-3-6-28(15-11-24-27(2)12-15)20(18)22(26-19)31-16-4-7-30-8-5-16;1-21-19(28)16-7-14(31-25-16)8-17-23-15-3-5-27(12-9-22-26(2)10-12)18(15)20(24-17)30-13-4-6-29-11-13;1-21-19(28)15-11-31-17(24-15)7-16-23-14-3-5-27(12-8-22-26(2)9-12)18(14)20(25-16)30-13-4-6-29-10-13/h2,5,8,10,12-13,16,19H,3-4,6-7,9,11H2,1H3,(H,26,32);2,7,10,12-14,17H,3-6,8-9,11H2,1H3,(H,25,31);4,7,10,12-14,17H,3,5-6,8-9,11H2,1-2H3,(H,24,30);3,6,9,11-13,16H,4-5,7-8,10H2,1-2H3,(H,23,29);3,5,7,9-10,13H,4,6,8,11H2,1-2H3,(H,21,28);3,5,8-9,11,13H,4,6-7,10H2,1-2H3,(H,21,28)/t;;;;2*13-/m....00/s1.
What are the key properties of N-(2,2-difluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(2-fluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide?
N-(2,2-difluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(2-fluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide has a molecular weight of 2785.21 g/mol, XLogP of 15.72, 41 rotatable bonds, 6 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(2-fluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 157391457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).