2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-N,N-dimethylpyrimidine-5-carboxamide;2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-5-carboxamide;3-[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]-1,3-oxazolidin-2-one;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine

C143H176F12N32O5 — CID 159078242

About 2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-N,N-dimethylpyrimidine-5-carboxamide;2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-5-carboxamide;3-[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]-1,3-oxazolidin-2-one;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine

2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-N,N-dimethylpyrimidine-5-carboxamide;2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-5-carboxamide;3-[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]-1,3-oxazolidin-2-one;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine (PubChem CID 159078242) has the molecular formula C143H176F12N32O5 and a molecular weight of 2651.18 g/mol. Its IUPAC name is 2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-N,N-dimethylpyrimidine-5-carboxamide;2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-5-carboxamide;3-[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]-1,3-oxazolidin-2-one;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine.

Molecular Properties

• Compound Name: 2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-N,N-dimethylpyrimidine-5-carboxamide;2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-5-carboxamide;3-[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]-1,3-oxazolidin-2-one;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine
• PubChem CID: 159078242
• Molecular Formula: C143H176F12N32O5
• Molecular Weight: 2651.18 g/mol
• Exact Mass: 2649.43
• IUPAC Name: 2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-N,N-dimethylpyrimidine-5-carboxamide;2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-5-carboxamide;3-[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]-1,3-oxazolidin-2-one;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine
• SMILES: Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(C(=O)N(C)C)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(C(N)=O)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(N3CCOC3=O)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(N3CCOCC3)cn2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C37H47F3N8O.C36H43F3N8O2.C36H45F3N8O.C34H41F3N8O/c1-24-14-28(16-30(15-24)37(38,39)40)22-47(35-41-18-31(19-42-35)45-10-12-49-13-11-45)23-29-17-32-25(2)44-48(36(3,4)5)34(32)43-33(29)46(20-26-6-7-26)21-27-8-9-27;1-22-12-26(14-28(13-22)36(37,38)39)20-45(33-40-16-29(17-41-33)46-10-11-49-34(46)48)21-27-15-30-23(2)43-47(35(3,4)5)32(30)42-31(27)44(18-24-6-7-24)19-25-8-9-25;1-22-12-26(14-29(13-22)36(37,38)39)20-46(34-40-16-28(17-41-34)33(48)44(6)7)21-27-15-30-23(2)43-47(35(3,4)5)32(30)42-31(27)45(18-24-8-9-24)19-25-10-11-25;1-20-10-24(12-27(11-20)34(35,36)37)18-44(32-39-14-26(15-40-32)29(38)46)19-25-13-28-21(2)42-45(33(3,4)5)31(28)41-30(25)43(16-22-6-7-22)17-23-8-9-23/h14-19,26-27H,6-13,20-23H2,1-5H3;12-17,24-25H,6-11,18-21H2,1-5H3;12-17,24-25H,8-11,18-21H2,1-7H3;10-15,22-23H,6-9,16-19H2,1-5H3,(H2,38,46)
• InChIKey: KANDVCXDQLEKLN-UHFFFAOYSA-N
• XLogP: 28.37
• TPSA: 357.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 44
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2651.18
LogP ≤ 5	28.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-N,N-dimethylpyrimidine-5-carboxamide;2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-5-carboxamide;3-[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]-1,3-oxazolidin-2-one;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine?

The IUPAC name of 2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-N,N-dimethylpyrimidine-5-carboxamide;2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-5-carboxamide;3-[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]-1,3-oxazolidin-2-one;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine (CID 159078242) is 2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-N,N-dimethylpyrimidine-5-carboxamide;2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-5-carboxamide;3-[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]-1,3-oxazolidin-2-one;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine.

What is the SMILES notation for 2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-N,N-dimethylpyrimidine-5-carboxamide;2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-5-carboxamide;3-[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]-1,3-oxazolidin-2-one;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine?

The canonical SMILES for 2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-N,N-dimethylpyrimidine-5-carboxamide;2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-5-carboxamide;3-[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]-1,3-oxazolidin-2-one;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine is Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(C(=O)N(C)C)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(C(N)=O)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(N3CCOC3=O)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(N3CCOCC3)cn2)cc(C(F)(F)F)c1.

What is the InChIKey of 2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-N,N-dimethylpyrimidine-5-carboxamide;2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-5-carboxamide;3-[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]-1,3-oxazolidin-2-one;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine?

The InChIKey is KANDVCXDQLEKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47F3N8O.C36H43F3N8O2.C36H45F3N8O.C34H41F3N8O/c1-24-14-28(16-30(15-24)37(38,39)40)22-47(35-41-18-31(19-42-35)45-10-12-49-13-11-45)23-29-17-32-25(2)44-48(36(3,4)5)34(32)43-33(29)46(20-26-6-7-26)21-27-8-9-27;1-22-12-26(14-28(13-22)36(37,38)39)20-45(33-40-16-29(17-41-33)46-10-11-49-34(46)48)21-27-15-30-23(2)43-47(35(3,4)5)32(30)42-31(27)44(18-24-6-7-24)19-25-8-9-25;1-22-12-26(14-29(13-22)36(37,38)39)20-46(34-40-16-28(17-41-34)33(48)44(6)7)21-27-15-30-23(2)43-47(35(3,4)5)32(30)42-31(27)45(18-24-8-9-24)19-25-10-11-25;1-20-10-24(12-27(11-20)34(35,36)37)18-44(32-39-14-26(15-40-32)29(38)46)19-25-13-28-21(2)42-45(33(3,4)5)31(28)41-30(25)43(16-22-6-7-22)17-23-8-9-23/h14-19,26-27H,6-13,20-23H2,1-5H3;12-17,24-25H,6-11,18-21H2,1-5H3;12-17,24-25H,8-11,18-21H2,1-7H3;10-15,22-23H,6-9,16-19H2,1-5H3,(H2,38,46).

What are the key properties of 2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-N,N-dimethylpyrimidine-5-carboxamide;2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-5-carboxamide;3-[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]-1,3-oxazolidin-2-one;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine?

2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-N,N-dimethylpyrimidine-5-carboxamide;2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-5-carboxamide;3-[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]-1,3-oxazolidin-2-one;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine has a molecular weight of 2651.18 g/mol, XLogP of 28.37, 44 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-N,N-dimethylpyrimidine-5-carboxamide;2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-5-carboxamide;3-[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]-1,3-oxazolidin-2-one;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 159078242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).