[5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-amino-3-pyridinyl)-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone

C142H172N50O6S — CID 162276129

IUPAC[5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-amino-3-pyridinyl)-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
SMILESC=C(N)c1ccc(C(=O)N2CCCC[C@H]2c2cc3nc(N4CC[C@H](N)C4)c(C)cn3n2)s1.Cc1cccc(C(=O)N2CCCC[C@H]2c2cc3nc(N4CC[C@H](N)C4)c(C)cn3n2)n1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc(-c4ncn[nH]4)cc3)cc2nc1N1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3-c3nn[nH]n3)cc2nc1N1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccnc3N)cc2nc1N1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccnc(-n4ccnc4)c3)cc2nc1N1CC[C@H](N)C1
InChIInChI=1S/2C25H29N9O.C24H28N10O.C23H29N7OS.C23H29N7O.C22H28N8O/c1-17-14-34-23(29-24(17)31-10-6-19(26)15-31)13-20(30-34)21-4-2-3-9-33(21)25(35)18-5-7-28-22(12-18)32-11-8-27-16-32;1-16-13-34-22(29-24(16)32-11-9-19(26)14-32)12-20(31-34)21-4-2-3-10-33(21)25(35)18-7-5-17(6-8-18)23-27-15-28-30-23;1-15-13-34-21(26-23(15)32-11-9-16(25)14-32)12-19(29-34)20-8-4-5-10-33(20)24(35)18-7-3-2-6-17(18)22-27-30-31-28-22;1-14-12-30-21(26-22(14)28-10-8-16(25)13-28)11-17(27-30)18-5-3-4-9-29(18)23(31)20-7-6-19(32-20)15(2)24;1-15-13-30-21(26-22(15)28-11-9-17(24)14-28)12-19(27-30)20-8-3-4-10-29(20)23(31)18-7-5-6-16(2)25-18;1-14-12-30-19(26-21(14)28-10-7-15(23)13-28)11-17(27-30)18-6-2-3-9-29(18)22(31)16-5-4-8-25-20(16)24/h5,7-8,11-14,16,19,21H,2-4,6,9-10,15,26H2,1H3;5-8,12-13,15,19,21H,2-4,9-11,14,26H2,1H3,(H,27,28,30);2-3,6-7,12-13,16,20H,4-5,8-11,14,25H2,1H3,(H,27,28,30,31);6-7,11-12,16,18H,2-5,8-10,13,24-25H2,1H3;5-7,12-13,17,20H,3-4,8-11,14,24H2,1-2H3;4-5,8,11-12,15,18H,2-3,6-7,9-10,13,23H2,1H3,(H2,24,25)/t2*19-,21-;16-,20-;16-,18-;17-,20-;15-,18-/m000000/s1
InChIKeyKWVBEMOIGZHDGW-OWBOQSKZSA-N
MW2707.35 g/mol
LogP14.87
Rot. Bonds22

About [5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-amino-3-pyridinyl)-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone

[5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-amino-3-pyridinyl)-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone (PubChem CID 162276129) has the molecular formula C142H172N50O6S and a molecular weight of 2707.35 g/mol. Its IUPAC name is [5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-amino-3-pyridinyl)-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-amino-3-pyridinyl)-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
PubChem CID162276129
Molecular FormulaC142H172N50O6S
Molecular Weight2707.35 g/mol
Exact Mass2705.44
IUPAC Name[5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-amino-3-pyridinyl)-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
SMILESC=C(N)c1ccc(C(=O)N2CCCC[C@H]2c2cc3nc(N4CC[C@H](N)C4)c(C)cn3n2)s1.Cc1cccc(C(=O)N2CCCC[C@H]2c2cc3nc(N4CC[C@H](N)C4)c(C)cn3n2)n1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc(-c4ncn[nH]4)cc3)cc2nc1N1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3-c3nn[nH]n3)cc2nc1N1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccnc3N)cc2nc1N1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccnc(-n4ccnc4)c3)cc2nc1N1CC[C@H](N)C1
InChIInChI=1S/2C25H29N9O.C24H28N10O.C23H29N7OS.C23H29N7O.C22H28N8O/c1-17-14-34-23(29-24(17)31-10-6-19(26)15-31)13-20(30-34)21-4-2-3-9-33(21)25(35)18-5-7-28-22(12-18)32-11-8-27-16-32;1-16-13-34-22(29-24(16)32-11-9-19(26)14-32)12-20(31-34)21-4-2-3-10-33(21)25(35)18-7-5-17(6-8-18)23-27-15-28-30-23;1-15-13-34-21(26-23(15)32-11-9-16(25)14-32)12-19(29-34)20-8-4-5-10-33(20)24(35)18-7-3-2-6-17(18)22-27-30-31-28-22;1-14-12-30-21(26-22(14)28-10-8-16(25)13-28)11-17(27-30)18-5-3-4-9-29(18)23(31)20-7-6-19(32-20)15(2)24;1-15-13-30-21(26-22(15)28-11-9-17(24)14-28)12-19(27-30)20-8-3-4-10-29(20)23(31)18-7-5-6-16(2)25-18;1-14-12-30-19(26-21(14)28-10-7-15(23)13-28)11-17(27-30)18-6-2-3-9-29(18)22(31)16-5-4-8-25-20(16)24/h5,7-8,11-14,16,19,21H,2-4,6,9-10,15,26H2,1H3;5-8,12-13,15,19,21H,2-4,9-11,14,26H2,1H3,(H,27,28,30);2-3,6-7,12-13,16,20H,4-5,8-11,14,25H2,1H3,(H,27,28,30,31);6-7,11-12,16,18H,2-5,8-10,13,24-25H2,1H3;5-7,12-13,17,20H,3-4,8-11,14,24H2,1-2H3;4-5,8,11-12,15,18H,2-3,6-7,9-10,13,23H2,1H3,(H2,24,25)/t2*19-,21-;16-,20-;16-,18-;17-,20-;15-,18-/m000000/s1
InChIKeyKWVBEMOIGZHDGW-OWBOQSKZSA-N
XLogP14.87
TPSA683.12 Ų
H-Bond Donors10
H-Bond Acceptors49
Rotatable Bonds22
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002707.35
LogP ≤ 514.87
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1049

Analyze [5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-amino-3-pyridinyl)-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone with MolForge

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Related Compounds

8-[1-(2-fluoroethyl)pyrazol-4-yl]-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118168290
8-[1-(2-fluoroethyl)pyrazol-4-yl]-3-(5-methylthiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118168292
3-(5-methylthiophen-2-yl)-8-[[3-[2-[[3-(5-methylthiophen-2-yl)-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carbonyl]amino]-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentyl]amino]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 123937993
N-[5-[7-[2-[2-amino-1-[5-methyl-2-(5-pyrimidin-5-yl-1H-pyrazolo[5,4-b]pyridin-3-yl)-1H-imidazol-4-yl]ethenyl]-5-fluorothiophen-3-yl]-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137143346
N-[5-[7-[2-fluoro-5-[2-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]benzamide
CID 137160625
8-(cyclopentylamino)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;ethane;3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 144870541
5-[3-[7-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1,2-dihydroquinazolin-8-yl]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(cyclopropylmethyl)pyridine-3-carboxamide
CID 145308775
(3-chlorothiophen-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(1-methylimidazol-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone
CID 157081593
[8-tert-butyl-6-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[4-[8-tert-butyl-6-(3-methylphenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyridin-2-ylmethanone;[8-tert-butyl-6-(3-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone;[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone
CID 157413742
2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-4-oxopyrido[4,3-d]pyrimidine-8-carbonitrile;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-cyano-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]pyridine-3-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-[[(E)-3-[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]prop-2-enyl]amino]pyridine-3-carboxamide
CID 157423692
4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;[4-[8-tert-butyl-6-(3-fluoro-4-methylphenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[8-tert-butyl-6-(3-fluoro-4-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone
CID 157445675
[4-[8-tert-butyl-6-(3-methylphenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone
CID 157456083

Frequently Asked Questions

What is the IUPAC name of [5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-amino-3-pyridinyl)-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The IUPAC name of [5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-amino-3-pyridinyl)-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone (CID 162276129) is [5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-amino-3-pyridinyl)-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone.
What is the SMILES notation for [5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-amino-3-pyridinyl)-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The canonical SMILES for [5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-amino-3-pyridinyl)-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone is C=C(N)c1ccc(C(=O)N2CCCC[C@H]2c2cc3nc(N4CC[C@H](N)C4)c(C)cn3n2)s1.Cc1cccc(C(=O)N2CCCC[C@H]2c2cc3nc(N4CC[C@H](N)C4)c(C)cn3n2)n1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc(-c4ncn[nH]4)cc3)cc2nc1N1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3-c3nn[nH]n3)cc2nc1N1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccnc3N)cc2nc1N1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccnc(-n4ccnc4)c3)cc2nc1N1CC[C@H](N)C1.
What is the InChIKey of [5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-amino-3-pyridinyl)-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The InChIKey is KWVBEMOIGZHDGW-OWBOQSKZSA-N. The full InChI is InChI=1S/2C25H29N9O.C24H28N10O.C23H29N7OS.C23H29N7O.C22H28N8O/c1-17-14-34-23(29-24(17)31-10-6-19(26)15-31)13-20(30-34)21-4-2-3-9-33(21)25(35)18-5-7-28-22(12-18)32-11-8-27-16-32;1-16-13-34-22(29-24(16)32-11-9-19(26)14-32)12-20(31-34)21-4-2-3-10-33(21)25(35)18-7-5-17(6-8-18)23-27-15-28-30-23;1-15-13-34-21(26-23(15)32-11-9-16(25)14-32)12-19(29-34)20-8-4-5-10-33(20)24(35)18-7-3-2-6-17(18)22-27-30-31-28-22;1-14-12-30-21(26-22(14)28-10-8-16(25)13-28)11-17(27-30)18-5-3-4-9-29(18)23(31)20-7-6-19(32-20)15(2)24;1-15-13-30-21(26-22(15)28-11-9-17(24)14-28)12-19(27-30)20-8-3-4-10-29(20)23(31)18-7-5-6-16(2)25-18;1-14-12-30-19(26-21(14)28-10-7-15(23)13-28)11-17(27-30)18-6-2-3-9-29(18)22(31)16-5-4-8-25-20(16)24/h5,7-8,11-14,16,19,21H,2-4,6,9-10,15,26H2,1H3;5-8,12-13,15,19,21H,2-4,9-11,14,26H2,1H3,(H,27,28,30);2-3,6-7,12-13,16,20H,4-5,8-11,14,25H2,1H3,(H,27,28,30,31);6-7,11-12,16,18H,2-5,8-10,13,24-25H2,1H3;5-7,12-13,17,20H,3-4,8-11,14,24H2,1-2H3;4-5,8,11-12,15,18H,2-3,6-7,9-10,13,23H2,1H3,(H2,24,25)/t2*19-,21-;16-,20-;16-,18-;17-,20-;15-,18-/m000000/s1.
What are the key properties of [5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-amino-3-pyridinyl)-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
[5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-amino-3-pyridinyl)-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone has a molecular weight of 2707.35 g/mol, XLogP of 14.87, 22 rotatable bonds, 10 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-amino-3-pyridinyl)-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone is sourced from PubChem (CID 162276129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).