N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine

C138H167F12N25O3 — CID 158062469

IUPACN-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine
SMILESCc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ccc(C3CC3)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(NC(=O)C(C)C)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)c2ccc3[nH]c(=O)oc3c2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)CC3)c2nnn(C)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C37H47F3N8O.C37H45F3N6.C35H39F3N4O2.C29H36F3N7/c1-22(2)34(49)43-30-16-41-35(42-17-30)47(20-27-12-23(3)13-29(14-27)37(38,39)40)21-28-15-31-24(4)45-48(36(5,6)7)33(31)44-32(28)46(18-25-8-9-25)19-26-10-11-26;1-23-14-27(16-31(15-23)37(38,39)40)21-44(33-13-12-29(18-41-33)28-10-11-28)22-30-17-32-24(2)43-46(36(3,4)5)35(32)42-34(30)45(19-25-6-7-25)20-26-8-9-26;1-21-12-24(14-27(13-21)35(36,37)38)19-41(28-8-9-29-30(16-28)44-33(43)39-29)20-26-15-25-10-11-34(2,3)31(25)40-32(26)42(17-22-4-5-22)18-23-6-7-23;1-18-10-22(12-25(11-18)29(30,31)32)16-39(28-34-36-37(3)35-28)17-24-13-23-9-4-19(2)26(23)33-27(24)38(14-20-5-6-20)15-21-7-8-21/h12-17,22,25-26H,8-11,18-21H2,1-7H3,(H,43,49);12-18,25-26,28H,6-11,19-22H2,1-5H3;8-9,12-16,22-23H,4-7,10-11,17-20H2,1-3H3,(H,39,43);10-13,19-21H,4-9,14-17H2,1-3H3
InChIKeyFKUVPAHMVOLENN-UHFFFAOYSA-N
MW2452.00 g/mol
LogP30.68
Rot. Bonds43

About N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine

N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine (PubChem CID 158062469) has the molecular formula C138H167F12N25O3 and a molecular weight of 2452.00 g/mol. Its IUPAC name is N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine
PubChem CID158062469
Molecular FormulaC138H167F12N25O3
Molecular Weight2452.00 g/mol
Exact Mass2450.35
IUPAC NameN-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine
SMILESCc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ccc(C3CC3)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(NC(=O)C(C)C)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)c2ccc3[nH]c(=O)oc3c2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)CC3)c2nnn(C)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C37H47F3N8O.C37H45F3N6.C35H39F3N4O2.C29H36F3N7/c1-22(2)34(49)43-30-16-41-35(42-17-30)47(20-27-12-23(3)13-29(14-27)37(38,39)40)21-28-15-31-24(4)45-48(36(5,6)7)33(31)44-32(28)46(18-25-8-9-25)19-26-10-11-26;1-23-14-27(16-31(15-23)37(38,39)40)21-44(33-13-12-29(18-41-33)28-10-11-28)22-30-17-32-24(2)43-46(36(3,4)5)35(32)42-34(30)45(19-25-6-7-25)20-26-8-9-26;1-21-12-24(14-27(13-21)35(36,37)38)19-41(28-8-9-29-30(16-28)44-33(43)39-29)20-26-15-25-10-11-34(2,3)31(25)40-32(26)42(17-22-4-5-22)18-23-6-7-23;1-18-10-22(12-25(11-18)29(30,31)32)16-39(28-34-36-37(3)35-28)17-24-13-23-9-4-19(2)26(23)33-27(24)38(14-20-5-6-20)15-21-7-8-21/h12-17,22,25-26H,8-11,18-21H2,1-7H3,(H,43,49);12-18,25-26,28H,6-11,19-22H2,1-5H3;8-9,12-16,22-23H,4-7,10-11,17-20H2,1-3H3,(H,39,43);10-13,19-21H,4-9,14-17H2,1-3H3
InChIKeyFKUVPAHMVOLENN-UHFFFAOYSA-N
XLogP30.68
TPSA270.49 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds43
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002452.00
LogP ≤ 530.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine 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

6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[2-(2-methylpropyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-8,8-dimethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-quinolin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine
CID 159645633
N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-4-(trifluoromethoxy)phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[4-(oxan-4-yl)piperazin-1-yl]phenyl]prop-2-enamide
CID 160240221
6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[2-(2-methylpropyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-8,8-dimethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-quinolin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 160469416
6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[2-(2-methylpropyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-8,8-dimethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-quinolin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine
CID 160541939
6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-8,8-dimethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-quinolin-2-amine;N,N-bis(cyclopropylmethyl)-7-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine;3-[[(4-chloro-1,3,5-triazin-2-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine
CID 160560500
6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[2-(2-methylpropyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-8,8-dimethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-quinolin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine
CID 161668065
N-[5-[4-[(2,4-difluoro-3-methoxyanilino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[(2-fluoro-6-methyl-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[(6-morpholin-4-yl-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 157072865
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(8-fluoro-2-methyl-3-propan-2-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(8-fluoro-2-methyl-3-propan-2-ylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 157167002
N-[4-(difluoromethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)indazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(methylamino)imidazo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 158407433
N-[5-[4-[(2,4-difluoro-3-methoxyanilino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[(2-fluoro-6-methyl-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[(6-morpholin-4-yl-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(pyrimidin-2-ylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 158735299
N-[4-(difluoromethoxy)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-[[4-(1-methylindazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-[[6-(1-ethylindazol-5-yl)pyrimidin-4-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methoxy-5-[[4-(1-methylindazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 160386917
N-[2-(4-cyclopropylpiperazin-1-yl)-4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-2-[2-[ethyl(methyl)amino]ethyl-methylamino]-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]prop-2-enamide
CID 161778244

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine?
The IUPAC name of N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine (CID 158062469) is N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine.
What is the SMILES notation for N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine?
The canonical SMILES for N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine is Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ccc(C3CC3)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(NC(=O)C(C)C)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)c2ccc3[nH]c(=O)oc3c2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)CC3)c2nnn(C)n2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine?
The InChIKey is FKUVPAHMVOLENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47F3N8O.C37H45F3N6.C35H39F3N4O2.C29H36F3N7/c1-22(2)34(49)43-30-16-41-35(42-17-30)47(20-27-12-23(3)13-29(14-27)37(38,39)40)21-28-15-31-24(4)45-48(36(5,6)7)33(31)44-32(28)46(18-25-8-9-25)19-26-10-11-26;1-23-14-27(16-31(15-23)37(38,39)40)21-44(33-13-12-29(18-41-33)28-10-11-28)22-30-17-32-24(2)43-46(36(3,4)5)35(32)42-34(30)45(19-25-6-7-25)20-26-8-9-26;1-21-12-24(14-27(13-21)35(36,37)38)19-41(28-8-9-29-30(16-28)44-33(43)39-29)20-26-15-25-10-11-34(2,3)31(25)40-32(26)42(17-22-4-5-22)18-23-6-7-23;1-18-10-22(12-25(11-18)29(30,31)32)16-39(28-34-36-37(3)35-28)17-24-13-23-9-4-19(2)26(23)33-27(24)38(14-20-5-6-20)15-21-7-8-21/h12-17,22,25-26H,8-11,18-21H2,1-7H3,(H,43,49);12-18,25-26,28H,6-11,19-22H2,1-5H3;8-9,12-16,22-23H,4-7,10-11,17-20H2,1-3H3,(H,39,43);10-13,19-21H,4-9,14-17H2,1-3H3.
What are the key properties of N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine?
N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine has a molecular weight of 2452.00 g/mol, XLogP of 30.68, 43 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 158062469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).