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-carbonitrile;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;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[5-(1-methylpyrazol-3-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]pyrazolo[5,4-b]pyridin-6-amine

C141H169F12N33O2 — CID 160688897

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-carbonitrile;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;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[5-(1-methylpyrazol-3-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]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-carbonitrile;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;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[5-(1-methylpyrazol-3-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]pyrazolo[5,4-b]pyridin-6-amine (PubChem CID 160688897) has the molecular formula C141H169F12N33O2 and a molecular weight of 2586.11 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-carbonitrile;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;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[5-(1-methylpyrazol-3-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]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-carbonitrile;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;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[5-(1-methylpyrazol-3-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]pyrazolo[5,4-b]pyridin-6-amine
• PubChem CID: 160688897
• Molecular Formula: C141H169F12N33O2
• Molecular Weight: 2586.11 g/mol
• Exact Mass: 2584.39
• 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-carbonitrile;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;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[5-(1-methylpyrazol-3-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]pyrazolo[5,4-b]pyridin-6-amine
• SMILES: Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(-c3ccn(C)n3)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(C#N)cn2)cc(C(F)(F)F)c1.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
• InChI: InChI=1S/C37H44F3N9.C36H45F3N8O.C34H41F3N8O.C34H39F3N8/c1-23-13-27(15-30(14-23)37(38,39)40)21-48(35-41-17-29(18-42-35)32-11-12-46(6)45-32)22-28-16-31-24(2)44-49(36(3,4)5)34(31)43-33(28)47(19-25-7-8-25)20-26-9-10-26;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;1-21-10-25(12-28(11-21)34(35,36)37)19-44(32-39-15-26(14-38)16-40-32)20-27-13-29-22(2)42-45(33(3,4)5)31(29)41-30(27)43(17-23-6-7-23)18-24-8-9-24/h11-18,25-26H,7-10,19-22H2,1-6H3;12-17,24-25H,8-11,18-21H2,1-7H3;10-15,22-23H,6-9,16-19H2,1-5H3,(H2,38,46);10-13,15-16,23-24H,6-9,17-20H2,1-5H3
• InChIKey: RPDPIZHRJKCGEV-UHFFFAOYSA-N
• XLogP: 28.85
• TPSA: 356.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 43
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2586.11
LogP ≤ 5	28.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

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-carbonitrile;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;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[5-(1-methylpyrazol-3-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]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-carbonitrile;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;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[5-(1-methylpyrazol-3-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]pyrazolo[5,4-b]pyridin-6-amine (CID 160688897) 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-carbonitrile;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;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[5-(1-methylpyrazol-3-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]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-carbonitrile;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;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[5-(1-methylpyrazol-3-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]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-carbonitrile;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;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[5-(1-methylpyrazol-3-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]pyrazolo[5,4-b]pyridin-6-amine is Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(-c3ccn(C)n3)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(C#N)cn2)cc(C(F)(F)F)c1.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.

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-carbonitrile;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;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[5-(1-methylpyrazol-3-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]pyrazolo[5,4-b]pyridin-6-amine?

The InChIKey is RPDPIZHRJKCGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44F3N9.C36H45F3N8O.C34H41F3N8O.C34H39F3N8/c1-23-13-27(15-30(14-23)37(38,39)40)21-48(35-41-17-29(18-42-35)32-11-12-46(6)45-32)22-28-16-31-24(2)44-49(36(3,4)5)34(31)43-33(28)47(19-25-7-8-25)20-26-9-10-26;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;1-21-10-25(12-28(11-21)34(35,36)37)19-44(32-39-15-26(14-38)16-40-32)20-27-13-29-22(2)42-45(33(3,4)5)31(29)41-30(27)43(17-23-6-7-23)18-24-8-9-24/h11-18,25-26H,7-10,19-22H2,1-6H3;12-17,24-25H,8-11,18-21H2,1-7H3;10-15,22-23H,6-9,16-19H2,1-5H3,(H2,38,46);10-13,15-16,23-24H,6-9,17-20H2,1-5H3.

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-carbonitrile;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;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[5-(1-methylpyrazol-3-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]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-carbonitrile;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;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[5-(1-methylpyrazol-3-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]pyrazolo[5,4-b]pyridin-6-amine has a molecular weight of 2586.11 g/mol, XLogP of 28.85, 43 rotatable bonds, 1 hydrogen bond donors, and 33 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-carbonitrile;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;1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[5-(1-methylpyrazol-3-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]pyrazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 160688897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).