N-[2-chloro-3-[3-[8-cyano-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;N-[3-[2-chloro-3-[2-[1-methyl-5-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]phenyl]-2-methylphenyl]-5-[(2S)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;N-[[8-chloro-2-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine;N-[3-[3-[8-chloro-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;2-[3-[3-[[7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-benzoxazole-7-carbonitrile

C174H188Cl4N36O9S — CID 167556863

IUPACN-[2-chloro-3-[3-[8-cyano-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;N-[3-[2-chloro-3-[2-[1-methyl-5-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]phenyl]-2-methylphenyl]-5-[(2S)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;N-[[8-chloro-2-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine;N-[3-[3-[8-chloro-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;2-[3-[3-[[7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-benzoxazole-7-carbonitrile
SMILESCCCNCc1cc(C#N)c2nc(-c3cccc(-c4cccc(NC(=O)c5ccc(CNCCO)cn5)c4Cl)c3C)nn2c1.CCCNCc1cc(Cl)c2nc(-c3cccc(-c4cccc(-c5nc6c(s5)CNCC6)c4C)c3C)nn2c1.CCCNCc1cc(Cl)c2nc(-c3cccc(-c4cccc(NC(=O)c5ccc(CNCCO)cn5)c4C)c3C)nn2c1.Cc1c(NC(=O)c2nc3c(n2C)CCN(C[C@H](C)O)C3)cccc1-c1cccc(CC(=O)c2nc3c(n2C)CCN(CC(C)C)C3)c1Cl.Cc1c(Nc2ncnc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CCC[C@H](C)C4)cc(C#N)c3o2)c1C
InChIInChI=1S/C41H42N8O2.C37H46ClN7O3.C33H33ClN8O2.C33H36ClN7O2.C30H31ClN6S/c1-25-7-6-13-48(20-25)21-28-15-30(18-42)39-37(16-28)47-41(51-39)34-10-4-8-32(26(34)2)33-9-5-11-35(27(33)3)46-40-38-36(44-24-45-40)17-29(19-43-38)22-49-14-12-31(50)23-49;1-22(2)18-44-15-13-31-29(20-44)39-35(42(31)5)33(47)17-25-9-7-11-27(34(25)38)26-10-8-12-28(24(26)4)41-37(48)36-40-30-21-45(19-23(3)46)16-14-32(30)43(36)6;1-3-12-36-18-23-15-24(16-35)32-40-31(41-42(32)20-23)26-7-4-6-25(21(26)2)27-8-5-9-28(30(27)34)39-33(44)29-11-10-22(19-38-29)17-37-13-14-43;1-4-13-35-18-24-16-28(34)32-39-31(40-41(32)20-24)27-9-5-7-25(21(27)2)26-8-6-10-29(22(26)3)38-33(43)30-12-11-23(19-37-30)17-36-14-15-42;1-4-12-32-15-20-14-25(31)29-35-28(36-37(29)17-20)23-9-5-7-21(18(23)2)22-8-6-10-24(19(22)3)30-34-26-11-13-33-16-27(26)38-30/h4-5,8-11,15-17,19,24-25,31,50H,6-7,12-14,20-23H2,1-3H3,(H,44,45,46);7-12,22-23,46H,13-21H2,1-6H3,(H,41,48);4-11,15,19-20,36-37,43H,3,12-14,17-18H2,1-2H3,(H,39,44);5-12,16,19-20,35-36,42H,4,13-15,17-18H2,1-3H3,(H,38,43);5-10,14,17,32-33H,4,11-13,15-16H2,1-3H3/t25-,31+;23-;;;/m00.../s1
InChIKeyDCULPEYLLTVYHC-RBFCGXQISA-N
MW3101.54 g/mol
LogP30.03
Rot. Bonds49

About N-[2-chloro-3-[3-[8-cyano-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;N-[3-[2-chloro-3-[2-[1-methyl-5-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]phenyl]-2-methylphenyl]-5-[(2S)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;N-[[8-chloro-2-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine;N-[3-[3-[8-chloro-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;2-[3-[3-[[7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-benzoxazole-7-carbonitrile

N-[2-chloro-3-[3-[8-cyano-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;N-[3-[2-chloro-3-[2-[1-methyl-5-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]phenyl]-2-methylphenyl]-5-[(2S)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;N-[[8-chloro-2-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine;N-[3-[3-[8-chloro-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;2-[3-[3-[[7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-benzoxazole-7-carbonitrile (PubChem CID 167556863) has the molecular formula C174H188Cl4N36O9S and a molecular weight of 3101.54 g/mol. Its IUPAC name is N-[2-chloro-3-[3-[8-cyano-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;N-[3-[2-chloro-3-[2-[1-methyl-5-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]phenyl]-2-methylphenyl]-5-[(2S)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;N-[[8-chloro-2-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine;N-[3-[3-[8-chloro-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;2-[3-[3-[[7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-benzoxazole-7-carbonitrile.

Molecular Properties

Compound NameN-[2-chloro-3-[3-[8-cyano-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;N-[3-[2-chloro-3-[2-[1-methyl-5-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]phenyl]-2-methylphenyl]-5-[(2S)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;N-[[8-chloro-2-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine;N-[3-[3-[8-chloro-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;2-[3-[3-[[7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-benzoxazole-7-carbonitrile
PubChem CID167556863
Molecular FormulaC174H188Cl4N36O9S
Molecular Weight3101.54 g/mol
Exact Mass3097.38
IUPAC NameN-[2-chloro-3-[3-[8-cyano-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;N-[3-[2-chloro-3-[2-[1-methyl-5-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]phenyl]-2-methylphenyl]-5-[(2S)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;N-[[8-chloro-2-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine;N-[3-[3-[8-chloro-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;2-[3-[3-[[7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-benzoxazole-7-carbonitrile
SMILESCCCNCc1cc(C#N)c2nc(-c3cccc(-c4cccc(NC(=O)c5ccc(CNCCO)cn5)c4Cl)c3C)nn2c1.CCCNCc1cc(Cl)c2nc(-c3cccc(-c4cccc(-c5nc6c(s5)CNCC6)c4C)c3C)nn2c1.CCCNCc1cc(Cl)c2nc(-c3cccc(-c4cccc(NC(=O)c5ccc(CNCCO)cn5)c4C)c3C)nn2c1.Cc1c(NC(=O)c2nc3c(n2C)CCN(C[C@H](C)O)C3)cccc1-c1cccc(CC(=O)c2nc3c(n2C)CCN(CC(C)C)C3)c1Cl.Cc1c(Nc2ncnc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CCC[C@H](C)C4)cc(C#N)c3o2)c1C
InChIInChI=1S/C41H42N8O2.C37H46ClN7O3.C33H33ClN8O2.C33H36ClN7O2.C30H31ClN6S/c1-25-7-6-13-48(20-25)21-28-15-30(18-42)39-37(16-28)47-41(51-39)34-10-4-8-32(26(34)2)33-9-5-11-35(27(33)3)46-40-38-36(44-24-45-40)17-29(19-43-38)22-49-14-12-31(50)23-49;1-22(2)18-44-15-13-31-29(20-44)39-35(42(31)5)33(47)17-25-9-7-11-27(34(25)38)26-10-8-12-28(24(26)4)41-37(48)36-40-30-21-45(19-23(3)46)16-14-32(30)43(36)6;1-3-12-36-18-23-15-24(16-35)32-40-31(41-42(32)20-23)26-7-4-6-25(21(26)2)27-8-5-9-28(30(27)34)39-33(44)29-11-10-22(19-38-29)17-37-13-14-43;1-4-13-35-18-24-16-28(34)32-39-31(40-41(32)20-24)27-9-5-7-25(21(27)2)26-8-6-10-29(22(26)3)38-33(43)30-12-11-23(19-37-30)17-36-14-15-42;1-4-12-32-15-20-14-25(31)29-35-28(36-37(29)17-20)23-9-5-7-21(18(23)2)22-8-6-10-24(19(22)3)30-34-26-11-13-33-16-27(26)38-30/h4-5,8-11,15-17,19,24-25,31,50H,6-7,12-14,20-23H2,1-3H3,(H,44,45,46);7-12,22-23,46H,13-21H2,1-6H3,(H,41,48);4-11,15,19-20,36-37,43H,3,12-14,17-18H2,1-2H3,(H,39,44);5-12,16,19-20,35-36,42H,4,13-15,17-18H2,1-3H3,(H,38,43);5-10,14,17,32-33H,4,11-13,15-16H2,1-3H3/t25-,31+;23-;;;/m00.../s1
InChIKeyDCULPEYLLTVYHC-RBFCGXQISA-N
XLogP30.03
TPSA559.62 Ų
H-Bond Donors14
H-Bond Acceptors43
Rotatable Bonds49
Heavy Atoms224
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003101.54
LogP ≤ 530.03
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze N-[2-chloro-3-[3-[8-cyano-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;N-[3-[2-chloro-3-[2-[1-methyl-5-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]phenyl]-2-methylphenyl]-5-[(2S)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;N-[[8-chloro-2-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine;N-[3-[3-[8-chloro-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;2-[3-[3-[[7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-benzoxazole-7-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[3-[8-cyano-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;N-[3-[2-chloro-3-[2-[1-methyl-5-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]phenyl]-2-methylphenyl]-5-[(2S)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;N-[[8-chloro-2-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine;N-[3-[3-[8-chloro-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;2-[3-[3-[[7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-benzoxazole-7-carbonitrile?
The IUPAC name of N-[2-chloro-3-[3-[8-cyano-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;N-[3-[2-chloro-3-[2-[1-methyl-5-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]phenyl]-2-methylphenyl]-5-[(2S)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;N-[[8-chloro-2-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine;N-[3-[3-[8-chloro-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;2-[3-[3-[[7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-benzoxazole-7-carbonitrile (CID 167556863) is N-[2-chloro-3-[3-[8-cyano-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;N-[3-[2-chloro-3-[2-[1-methyl-5-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]phenyl]-2-methylphenyl]-5-[(2S)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;N-[[8-chloro-2-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine;N-[3-[3-[8-chloro-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;2-[3-[3-[[7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-benzoxazole-7-carbonitrile.
What is the SMILES notation for N-[2-chloro-3-[3-[8-cyano-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;N-[3-[2-chloro-3-[2-[1-methyl-5-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]phenyl]-2-methylphenyl]-5-[(2S)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;N-[[8-chloro-2-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine;N-[3-[3-[8-chloro-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;2-[3-[3-[[7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-benzoxazole-7-carbonitrile?
The canonical SMILES for N-[2-chloro-3-[3-[8-cyano-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;N-[3-[2-chloro-3-[2-[1-methyl-5-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]phenyl]-2-methylphenyl]-5-[(2S)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;N-[[8-chloro-2-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine;N-[3-[3-[8-chloro-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;2-[3-[3-[[7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-benzoxazole-7-carbonitrile is CCCNCc1cc(C#N)c2nc(-c3cccc(-c4cccc(NC(=O)c5ccc(CNCCO)cn5)c4Cl)c3C)nn2c1.CCCNCc1cc(Cl)c2nc(-c3cccc(-c4cccc(-c5nc6c(s5)CNCC6)c4C)c3C)nn2c1.CCCNCc1cc(Cl)c2nc(-c3cccc(-c4cccc(NC(=O)c5ccc(CNCCO)cn5)c4C)c3C)nn2c1.Cc1c(NC(=O)c2nc3c(n2C)CCN(C[C@H](C)O)C3)cccc1-c1cccc(CC(=O)c2nc3c(n2C)CCN(CC(C)C)C3)c1Cl.Cc1c(Nc2ncnc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CCC[C@H](C)C4)cc(C#N)c3o2)c1C.
What is the InChIKey of N-[2-chloro-3-[3-[8-cyano-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;N-[3-[2-chloro-3-[2-[1-methyl-5-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]phenyl]-2-methylphenyl]-5-[(2S)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;N-[[8-chloro-2-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine;N-[3-[3-[8-chloro-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;2-[3-[3-[[7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-benzoxazole-7-carbonitrile?
The InChIKey is DCULPEYLLTVYHC-RBFCGXQISA-N. The full InChI is InChI=1S/C41H42N8O2.C37H46ClN7O3.C33H33ClN8O2.C33H36ClN7O2.C30H31ClN6S/c1-25-7-6-13-48(20-25)21-28-15-30(18-42)39-37(16-28)47-41(51-39)34-10-4-8-32(26(34)2)33-9-5-11-35(27(33)3)46-40-38-36(44-24-45-40)17-29(19-43-38)22-49-14-12-31(50)23-49;1-22(2)18-44-15-13-31-29(20-44)39-35(42(31)5)33(47)17-25-9-7-11-27(34(25)38)26-10-8-12-28(24(26)4)41-37(48)36-40-30-21-45(19-23(3)46)16-14-32(30)43(36)6;1-3-12-36-18-23-15-24(16-35)32-40-31(41-42(32)20-23)26-7-4-6-25(21(26)2)27-8-5-9-28(30(27)34)39-33(44)29-11-10-22(19-38-29)17-37-13-14-43;1-4-13-35-18-24-16-28(34)32-39-31(40-41(32)20-24)27-9-5-7-25(21(27)2)26-8-6-10-29(22(26)3)38-33(43)30-12-11-23(19-37-30)17-36-14-15-42;1-4-12-32-15-20-14-25(31)29-35-28(36-37(29)17-20)23-9-5-7-21(18(23)2)22-8-6-10-24(19(22)3)30-34-26-11-13-33-16-27(26)38-30/h4-5,8-11,15-17,19,24-25,31,50H,6-7,12-14,20-23H2,1-3H3,(H,44,45,46);7-12,22-23,46H,13-21H2,1-6H3,(H,41,48);4-11,15,19-20,36-37,43H,3,12-14,17-18H2,1-2H3,(H,39,44);5-12,16,19-20,35-36,42H,4,13-15,17-18H2,1-3H3,(H,38,43);5-10,14,17,32-33H,4,11-13,15-16H2,1-3H3/t25-,31+;23-;;;/m00.../s1.
What are the key properties of N-[2-chloro-3-[3-[8-cyano-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;N-[3-[2-chloro-3-[2-[1-methyl-5-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]phenyl]-2-methylphenyl]-5-[(2S)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;N-[[8-chloro-2-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine;N-[3-[3-[8-chloro-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;2-[3-[3-[[7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-benzoxazole-7-carbonitrile?
N-[2-chloro-3-[3-[8-cyano-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;N-[3-[2-chloro-3-[2-[1-methyl-5-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]phenyl]-2-methylphenyl]-5-[(2S)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;N-[[8-chloro-2-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine;N-[3-[3-[8-chloro-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;2-[3-[3-[[7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-benzoxazole-7-carbonitrile has a molecular weight of 3101.54 g/mol, XLogP of 30.03, 49 rotatable bonds, 14 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-[3-[8-cyano-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;N-[3-[2-chloro-3-[2-[1-methyl-5-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]phenyl]-2-methylphenyl]-5-[(2S)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;N-[[8-chloro-2-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]propan-1-amine;N-[3-[3-[8-chloro-6-(propylaminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide;2-[3-[3-[[7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-benzoxazole-7-carbonitrile is sourced from PubChem (CID 167556863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).