N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-cyclopropyl-2-pyridinyl)amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine

C143H161F24N29O3 — CID 159611395

IUPACN-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-cyclopropyl-2-pyridinyl)amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine
SMILESCC(=O)c1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc3c(C)nn(C)c3nc2N(CC2CC2)CC2CC2)nc1.Cc1nn(C(C)(C)C)c2nc(N(CC3CC3)CC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc(C4CC4)cn3)cc12.Cc1nn(C(C)(C)C)c2nc(N(CC3CC3)CC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(NC(=O)C(C)C)cn3)cc12.Cc1nn(C(C)(C)C)c2nc(N(CC3CC3)CC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(NC(=O)C4CC4)cn3)cc12
InChIInChI=1S/C37H42F6N8O.C37H44F6N8O.C37H42F6N6.C32H33F6N7O/c1-21-30-13-26(31(47-32(30)51(48-21)35(2,3)4)49(17-22-5-6-22)18-23-7-8-23)20-50(34-44-15-29(16-45-34)46-33(52)25-9-10-25)19-24-11-27(36(38,39)40)14-28(12-24)37(41,42)43;1-21(2)33(52)46-29-15-44-34(45-16-29)50(19-25-11-27(36(38,39)40)14-28(12-25)37(41,42)43)20-26-13-30-22(3)48-51(35(4,5)6)32(30)47-31(26)49(17-23-7-8-23)18-24-9-10-24;1-22-31-15-28(33(45-34(31)49(46-22)35(2,3)4)48(18-23-5-6-23)19-24-7-8-24)21-47(32-12-11-27(17-44-32)26-9-10-26)20-25-13-29(36(38,39)40)16-30(14-25)37(41,42)43;1-18-27-10-23(28(41-29(27)43(3)42-18)44(14-20-4-5-20)15-21-6-7-21)17-45(30-39-12-24(13-40-30)19(2)46)16-22-8-25(31(33,34)35)11-26(9-22)32(36,37)38/h11-16,22-23,25H,5-10,17-20H2,1-4H3,(H,46,52);11-16,21,23-24H,7-10,17-20H2,1-6H3,(H,46,52);11-17,23-24,26H,5-10,18-21H2,1-4H3;8-13,20-21H,4-7,14-17H2,1-3H3
InChIKeyMMSSMIKDXKSAEO-UHFFFAOYSA-N
MW2790.01 g/mol
LogP34.03
Rot. Bonds46

About N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-cyclopropyl-2-pyridinyl)amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-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-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-cyclopropyl-2-pyridinyl)amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine (PubChem CID 159611395) has the molecular formula C143H161F24N29O3 and a molecular weight of 2790.01 g/mol. Its IUPAC name is N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-cyclopropyl-2-pyridinyl)amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-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-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-cyclopropyl-2-pyridinyl)amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine
PubChem CID159611395
Molecular FormulaC143H161F24N29O3
Molecular Weight2790.01 g/mol
Exact Mass2788.30
IUPAC NameN-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-cyclopropyl-2-pyridinyl)amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine
SMILESCC(=O)c1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc3c(C)nn(C)c3nc2N(CC2CC2)CC2CC2)nc1.Cc1nn(C(C)(C)C)c2nc(N(CC3CC3)CC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc(C4CC4)cn3)cc12.Cc1nn(C(C)(C)C)c2nc(N(CC3CC3)CC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(NC(=O)C(C)C)cn3)cc12.Cc1nn(C(C)(C)C)c2nc(N(CC3CC3)CC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(NC(=O)C4CC4)cn3)cc12
InChIInChI=1S/C37H42F6N8O.C37H44F6N8O.C37H42F6N6.C32H33F6N7O/c1-21-30-13-26(31(47-32(30)51(48-21)35(2,3)4)49(17-22-5-6-22)18-23-7-8-23)20-50(34-44-15-29(16-45-34)46-33(52)25-9-10-25)19-24-11-27(36(38,39)40)14-28(12-24)37(41,42)43;1-21(2)33(52)46-29-15-44-34(45-16-29)50(19-25-11-27(36(38,39)40)14-28(12-25)37(41,42)43)20-26-13-30-22(3)48-51(35(4,5)6)32(30)47-31(26)49(17-23-7-8-23)18-24-9-10-24;1-22-31-15-28(33(45-34(31)49(46-22)35(2,3)4)48(18-23-5-6-23)19-24-7-8-24)21-47(32-12-11-27(17-44-32)26-9-10-26)20-25-13-29(36(38,39)40)16-30(14-25)37(41,42)43;1-18-27-10-23(28(41-29(27)43(3)42-18)44(14-20-4-5-20)15-21-6-7-21)17-45(30-39-12-24(13-40-30)19(2)46)16-22-8-25(31(33,34)35)11-26(9-22)32(36,37)38/h11-16,22-23,25H,5-10,17-20H2,1-4H3,(H,46,52);11-16,21,23-24H,7-10,17-20H2,1-6H3,(H,46,52);11-17,23-24,26H,5-10,18-21H2,1-4H3;8-13,20-21H,4-7,14-17H2,1-3H3
InChIKeyMMSSMIKDXKSAEO-UHFFFAOYSA-N
XLogP34.03
TPSA314.26 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds46
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002790.01
LogP ≤ 534.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Analyze N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-cyclopropyl-2-pyridinyl)amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-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

N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide
CID 71539514
N-(2-(((6-(bis(cyclopropylmethyl)amino)-1-(tert-butyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methyl)(3,5-bis(trifluoromethyl)benzyl)amino)pyrimidin-5-yl) isobutyramide
CID 71539516
3-cyano-N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]benzamide;3,3,3-trifluoro-N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)-(3,3,3-trifluoropropanoyl)amino]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]propanamide
CID 87152389
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
CID 118642730
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]cyclopropanecarboxamide
CID 118642732
2-methyl-N-(5-methyl-2-pyridinyl)-1-[2-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-pyridinyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-1-ium-3-carboxamide
CID 123241140
N-(5-fluoro-3-pyridinyl)-1-[6-methyl-5-[[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-1-ium-3-carboxamide
CID 123373661
1-[6-methyl-2-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]pyrimidin-4-yl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123415167
N-(2,6-dimethylpyrimidin-4-yl)-1-[2-methyl-6-[[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-pyridinyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-1-ium-3-carboxamide
CID 123456844
N-[6-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]-8-[3-fluoro-1-[[6-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]pyrrolidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 123737199
N-(2,3-dimethyl-4-pyridinyl)-2-methyl-1-[[5-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-3-pyridinyl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide
CID 123775868
N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-(3-fluoropyrrolidin-1-yl)-1-[2-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123839257

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-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-cyclopropyl-2-pyridinyl)amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-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-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-cyclopropyl-2-pyridinyl)amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine (CID 159611395) is N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-cyclopropyl-2-pyridinyl)amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-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-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-cyclopropyl-2-pyridinyl)amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-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-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-cyclopropyl-2-pyridinyl)amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine is CC(=O)c1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc3c(C)nn(C)c3nc2N(CC2CC2)CC2CC2)nc1.Cc1nn(C(C)(C)C)c2nc(N(CC3CC3)CC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc(C4CC4)cn3)cc12.Cc1nn(C(C)(C)C)c2nc(N(CC3CC3)CC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(NC(=O)C(C)C)cn3)cc12.Cc1nn(C(C)(C)C)c2nc(N(CC3CC3)CC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(NC(=O)C4CC4)cn3)cc12.
What is the InChIKey of N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-cyclopropyl-2-pyridinyl)amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine?
The InChIKey is MMSSMIKDXKSAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42F6N8O.C37H44F6N8O.C37H42F6N6.C32H33F6N7O/c1-21-30-13-26(31(47-32(30)51(48-21)35(2,3)4)49(17-22-5-6-22)18-23-7-8-23)20-50(34-44-15-29(16-45-34)46-33(52)25-9-10-25)19-24-11-27(36(38,39)40)14-28(12-24)37(41,42)43;1-21(2)33(52)46-29-15-44-34(45-16-29)50(19-25-11-27(36(38,39)40)14-28(12-25)37(41,42)43)20-26-13-30-22(3)48-51(35(4,5)6)32(30)47-31(26)49(17-23-7-8-23)18-24-9-10-24;1-22-31-15-28(33(45-34(31)49(46-22)35(2,3)4)48(18-23-5-6-23)19-24-7-8-24)21-47(32-12-11-27(17-44-32)26-9-10-26)20-25-13-29(36(38,39)40)16-30(14-25)37(41,42)43;1-18-27-10-23(28(41-29(27)43(3)42-18)44(14-20-4-5-20)15-21-6-7-21)17-45(30-39-12-24(13-40-30)19(2)46)16-22-8-25(31(33,34)35)11-26(9-22)32(36,37)38/h11-16,22-23,25H,5-10,17-20H2,1-4H3,(H,46,52);11-16,21,23-24H,7-10,17-20H2,1-6H3,(H,46,52);11-17,23-24,26H,5-10,18-21H2,1-4H3;8-13,20-21H,4-7,14-17H2,1-3H3.
What are the key properties of N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-cyclopropyl-2-pyridinyl)amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-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-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-cyclopropyl-2-pyridinyl)amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine has a molecular weight of 2790.01 g/mol, XLogP of 34.03, 46 rotatable bonds, 2 hydrogen bond donors, and 30 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-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-cyclopropyl-2-pyridinyl)amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 159611395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).