1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-[[(3S)-piperidin-3-yl]methylamino]-3-pyridinyl]pyrrolidin-3-ol;(3S)-1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrolidin-3-ol;2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)-5-pyrrol-1-ylpyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-N-(piperidin-3-ylmethyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-3-ylmethyl)-5-pyrrolidin-1-ylpyridine-2,4-diamine

C110H136N36O3 — CID 158385428

IUPAC1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-[[(3S)-piperidin-3-yl]methylamino]-3-pyridinyl]pyrrolidin-3-ol;(3S)-1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrolidin-3-ol;2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)-5-pyrrol-1-ylpyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-N-(piperidin-3-ylmethyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-3-ylmethyl)-5-pyrrolidin-1-ylpyridine-2,4-diamine
SMILESC#Cc1cnc(Nc2cc(NC3CCN(C)CC3)c(-n3cccc3)cn2)cn1.C#Cc1cnc(Nc2cc(NCC3CCCNC3)c(-n3ccc(CN4CCOCC4)c3)cn2)cn1.C#Cc1cnc(Nc2cc(NCC3CCCNC3)c(N3CCCC3)cn2)cn1.C#Cc1cnc(Nc2cc(NCC3CCCNC3)c(N3CC[C@H](O)C3)cn2)cn1.C#Cc1cnc(Nc2cc(NC[C@H]3CCCNC3)c(N3CCC(O)C3)cn2)cn1
InChIInChI=1S/C26H32N8O.2C21H27N7O.C21H23N7.C21H27N7/c1-2-22-15-30-26(17-28-22)32-25-12-23(29-14-20-4-3-6-27-13-20)24(16-31-25)34-7-5-21(19-34)18-33-8-10-35-11-9-33;2*1-2-16-11-25-21(13-23-16)27-20-8-18(24-10-15-4-3-6-22-9-15)19(12-26-20)28-7-5-17(29)14-28;1-3-16-13-23-21(15-22-16)26-20-12-18(25-17-6-10-27(2)11-7-17)19(14-24-20)28-8-4-5-9-28;1-2-17-13-25-21(15-23-17)27-20-10-18(24-12-16-6-5-7-22-11-16)19(14-26-20)28-8-3-4-9-28/h1,5,7,12,15-17,19-20,27H,3-4,6,8-11,13-14,18H2,(H2,29,30,31,32);2*1,8,11-13,15,17,22,29H,3-7,9-10,14H2,(H2,24,25,26,27);1,4-5,8-9,12-15,17H,6-7,10-11H2,2H3,(H2,23,24,25,26);1,10,13-16,22H,3-9,11-12H2,(H2,24,25,26,27)/t;15?,17-;15-,17?;;/m.00../s1
InChIKeyGWHRKFCDOZAKGQ-ZYCQIMBDSA-N
MW2010.55 g/mol
LogP11.29
Rot. Bonds31

About 1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-[[(3S)-piperidin-3-yl]methylamino]-3-pyridinyl]pyrrolidin-3-ol;(3S)-1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrolidin-3-ol;2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)-5-pyrrol-1-ylpyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-N-(piperidin-3-ylmethyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-3-ylmethyl)-5-pyrrolidin-1-ylpyridine-2,4-diamine

1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-[[(3S)-piperidin-3-yl]methylamino]-3-pyridinyl]pyrrolidin-3-ol;(3S)-1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrolidin-3-ol;2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)-5-pyrrol-1-ylpyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-N-(piperidin-3-ylmethyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-3-ylmethyl)-5-pyrrolidin-1-ylpyridine-2,4-diamine (PubChem CID 158385428) has the molecular formula C110H136N36O3 and a molecular weight of 2010.55 g/mol. Its IUPAC name is 1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-[[(3S)-piperidin-3-yl]methylamino]-3-pyridinyl]pyrrolidin-3-ol;(3S)-1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrolidin-3-ol;2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)-5-pyrrol-1-ylpyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-N-(piperidin-3-ylmethyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-3-ylmethyl)-5-pyrrolidin-1-ylpyridine-2,4-diamine.

Molecular Properties

Compound Name1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-[[(3S)-piperidin-3-yl]methylamino]-3-pyridinyl]pyrrolidin-3-ol;(3S)-1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrolidin-3-ol;2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)-5-pyrrol-1-ylpyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-N-(piperidin-3-ylmethyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-3-ylmethyl)-5-pyrrolidin-1-ylpyridine-2,4-diamine
PubChem CID158385428
Molecular FormulaC110H136N36O3
Molecular Weight2010.55 g/mol
Exact Mass2009.16
IUPAC Name1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-[[(3S)-piperidin-3-yl]methylamino]-3-pyridinyl]pyrrolidin-3-ol;(3S)-1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrolidin-3-ol;2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)-5-pyrrol-1-ylpyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-N-(piperidin-3-ylmethyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-3-ylmethyl)-5-pyrrolidin-1-ylpyridine-2,4-diamine
SMILESC#Cc1cnc(Nc2cc(NC3CCN(C)CC3)c(-n3cccc3)cn2)cn1.C#Cc1cnc(Nc2cc(NCC3CCCNC3)c(-n3ccc(CN4CCOCC4)c3)cn2)cn1.C#Cc1cnc(Nc2cc(NCC3CCCNC3)c(N3CCCC3)cn2)cn1.C#Cc1cnc(Nc2cc(NCC3CCCNC3)c(N3CC[C@H](O)C3)cn2)cn1.C#Cc1cnc(Nc2cc(NC[C@H]3CCCNC3)c(N3CCC(O)C3)cn2)cn1
InChIInChI=1S/C26H32N8O.2C21H27N7O.C21H23N7.C21H27N7/c1-2-22-15-30-26(17-28-22)32-25-12-23(29-14-20-4-3-6-27-13-20)24(16-31-25)34-7-5-21(19-34)18-33-8-10-35-11-9-33;2*1-2-16-11-25-21(13-23-16)27-20-8-18(24-10-15-4-3-6-22-9-15)19(12-26-20)28-7-5-17(29)14-28;1-3-16-13-23-21(15-22-16)26-20-12-18(25-17-6-10-27(2)11-7-17)19(14-24-20)28-8-4-5-9-28;1-2-17-13-25-21(15-23-17)27-20-10-18(24-12-16-6-5-7-22-11-16)19(14-26-20)28-8-3-4-9-28/h1,5,7,12,15-17,19-20,27H,3-4,6,8-11,13-14,18H2,(H2,29,30,31,32);2*1,8,11-13,15,17,22,29H,3-7,9-10,14H2,(H2,24,25,26,27);1,4-5,8-9,12-15,17H,6-7,10-11H2,2H3,(H2,23,24,25,26);1,10,13-16,22H,3-9,11-12H2,(H2,24,25,26,27)/t;15?,17-;15-,17?;;/m.00../s1
InChIKeyGWHRKFCDOZAKGQ-ZYCQIMBDSA-N
XLogP11.29
TPSA437.52 Ų
H-Bond Donors16
H-Bond Acceptors39
Rotatable Bonds31
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002010.55
LogP ≤ 511.29
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-[[(3S)-piperidin-3-yl]methylamino]-3-pyridinyl]pyrrolidin-3-ol;(3S)-1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrolidin-3-ol;2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)-5-pyrrol-1-ylpyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-N-(piperidin-3-ylmethyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-3-ylmethyl)-5-pyrrolidin-1-ylpyridine-2,4-diamine 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

1-[4-(6-Amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;bis(1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2,2,2-trifluoroethanol);bis(2-methyl-1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol)
CID 160026549
5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopropylimidazol-4-yl]-3-methylpyridin-2-amine;bis(5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane
CID 160777806
tris(2-chloro-5-(trifluoromethyl)pyridine);(3S)-3-methylpyrrolidine;2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine;bis(2-[(3S)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine);(3S)-pyrrolidin-3-amine;(3R)-pyrrolidin-3-ol;(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 161265405
Bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-propylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-prop-2-ynylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;bis(1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol)
CID 161478082
1-[4-(6-Amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol;1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol;bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol);bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol)
CID 167574255
2-[[4-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-6-[[5-(difluoromethyl)-6-[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]piperazin-2-yl]-2-pyridinyl]amino]-2-pyridinyl]amino]ethanol
CID 172296694
N-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-morpholin-4-yl-2-pyridinyl]-6-[4-[2-[[5-(difluoromethyl)-2-pyridinyl]amino]-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-4-pyridinyl]piperazin-2-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 172296874
1-[6-[[5-[[2-[5-[[4-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-6-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-2-pyridinyl]amino]pyrazin-2-yl]cyclopropyl]methyl]-4-fluoro-2-pyridinyl]amino]-4-piperazin-1-yl-2-pyridinyl]-4-fluoropiperidin-3-ol
CID 177317999
N-[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-[6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]pyrimidin-2-amine
CID 68983502
N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-4-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-3-pyridinyl]pyrimidin-2-amine
CID 68983545
2-N-(5-ethynylpyrazin-2-yl)-5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-N-(piperidin-3-ylmethyl)pyridine-2,4-diamine
CID 88882263
(3aR,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aR)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aR,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(3aS,6aS)-5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;(4aR,7aS)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(4aS,7aR)-4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;5-methyl-1-(6-propan-2-yl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;4-(6-propan-2-yl-3-pyridinyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
CID 157050014

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-[[(3S)-piperidin-3-yl]methylamino]-3-pyridinyl]pyrrolidin-3-ol;(3S)-1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrolidin-3-ol;2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)-5-pyrrol-1-ylpyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-N-(piperidin-3-ylmethyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-3-ylmethyl)-5-pyrrolidin-1-ylpyridine-2,4-diamine?
The IUPAC name of 1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-[[(3S)-piperidin-3-yl]methylamino]-3-pyridinyl]pyrrolidin-3-ol;(3S)-1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrolidin-3-ol;2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)-5-pyrrol-1-ylpyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-N-(piperidin-3-ylmethyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-3-ylmethyl)-5-pyrrolidin-1-ylpyridine-2,4-diamine (CID 158385428) is 1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-[[(3S)-piperidin-3-yl]methylamino]-3-pyridinyl]pyrrolidin-3-ol;(3S)-1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrolidin-3-ol;2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)-5-pyrrol-1-ylpyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-N-(piperidin-3-ylmethyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-3-ylmethyl)-5-pyrrolidin-1-ylpyridine-2,4-diamine.
What is the SMILES notation for 1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-[[(3S)-piperidin-3-yl]methylamino]-3-pyridinyl]pyrrolidin-3-ol;(3S)-1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrolidin-3-ol;2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)-5-pyrrol-1-ylpyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-N-(piperidin-3-ylmethyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-3-ylmethyl)-5-pyrrolidin-1-ylpyridine-2,4-diamine?
The canonical SMILES for 1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-[[(3S)-piperidin-3-yl]methylamino]-3-pyridinyl]pyrrolidin-3-ol;(3S)-1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrolidin-3-ol;2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)-5-pyrrol-1-ylpyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-N-(piperidin-3-ylmethyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-3-ylmethyl)-5-pyrrolidin-1-ylpyridine-2,4-diamine is C#Cc1cnc(Nc2cc(NC3CCN(C)CC3)c(-n3cccc3)cn2)cn1.C#Cc1cnc(Nc2cc(NCC3CCCNC3)c(-n3ccc(CN4CCOCC4)c3)cn2)cn1.C#Cc1cnc(Nc2cc(NCC3CCCNC3)c(N3CCCC3)cn2)cn1.C#Cc1cnc(Nc2cc(NCC3CCCNC3)c(N3CC[C@H](O)C3)cn2)cn1.C#Cc1cnc(Nc2cc(NC[C@H]3CCCNC3)c(N3CCC(O)C3)cn2)cn1.
What is the InChIKey of 1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-[[(3S)-piperidin-3-yl]methylamino]-3-pyridinyl]pyrrolidin-3-ol;(3S)-1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrolidin-3-ol;2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)-5-pyrrol-1-ylpyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-N-(piperidin-3-ylmethyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-3-ylmethyl)-5-pyrrolidin-1-ylpyridine-2,4-diamine?
The InChIKey is GWHRKFCDOZAKGQ-ZYCQIMBDSA-N. The full InChI is InChI=1S/C26H32N8O.2C21H27N7O.C21H23N7.C21H27N7/c1-2-22-15-30-26(17-28-22)32-25-12-23(29-14-20-4-3-6-27-13-20)24(16-31-25)34-7-5-21(19-34)18-33-8-10-35-11-9-33;2*1-2-16-11-25-21(13-23-16)27-20-8-18(24-10-15-4-3-6-22-9-15)19(12-26-20)28-7-5-17(29)14-28;1-3-16-13-23-21(15-22-16)26-20-12-18(25-17-6-10-27(2)11-7-17)19(14-24-20)28-8-4-5-9-28;1-2-17-13-25-21(15-23-17)27-20-10-18(24-12-16-6-5-7-22-11-16)19(14-26-20)28-8-3-4-9-28/h1,5,7,12,15-17,19-20,27H,3-4,6,8-11,13-14,18H2,(H2,29,30,31,32);2*1,8,11-13,15,17,22,29H,3-7,9-10,14H2,(H2,24,25,26,27);1,4-5,8-9,12-15,17H,6-7,10-11H2,2H3,(H2,23,24,25,26);1,10,13-16,22H,3-9,11-12H2,(H2,24,25,26,27)/t;15?,17-;15-,17?;;/m.00../s1.
What are the key properties of 1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-[[(3S)-piperidin-3-yl]methylamino]-3-pyridinyl]pyrrolidin-3-ol;(3S)-1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrolidin-3-ol;2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)-5-pyrrol-1-ylpyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-N-(piperidin-3-ylmethyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-3-ylmethyl)-5-pyrrolidin-1-ylpyridine-2,4-diamine?
1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-[[(3S)-piperidin-3-yl]methylamino]-3-pyridinyl]pyrrolidin-3-ol;(3S)-1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrolidin-3-ol;2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)-5-pyrrol-1-ylpyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-N-(piperidin-3-ylmethyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-3-ylmethyl)-5-pyrrolidin-1-ylpyridine-2,4-diamine has a molecular weight of 2010.55 g/mol, XLogP of 11.29, 31 rotatable bonds, 16 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-[[(3S)-piperidin-3-yl]methylamino]-3-pyridinyl]pyrrolidin-3-ol;(3S)-1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrolidin-3-ol;2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)-5-pyrrol-1-ylpyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-N-(piperidin-3-ylmethyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-3-ylmethyl)-5-pyrrolidin-1-ylpyridine-2,4-diamine is sourced from PubChem (CID 158385428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).