1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine

C143H166F15N27O3 — CID 160650378

About 1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine

1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine (PubChem CID 160650378) has the molecular formula C143H166F15N27O3 and a molecular weight of 2596.06 g/mol. Its IUPAC name is 1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine.

Molecular Properties

• Compound Name: 1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine
• PubChem CID: 160650378
• Molecular Formula: C143H166F15N27O3
• Molecular Weight: 2596.06 g/mol
• Exact Mass: 2594.34
• IUPAC Name: 1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine
• SMILES: Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)c2ncc(-c3ccn[nH]3)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)c2ncc(N3CCCC3=O)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)c2ncc(N3CCOCC3)cn2)cc(C(F)(F)F)c1.Cc1nn(C(C)(C)C)c2nc(N(CC3CC3)CC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(-c4ccon4)cn3)cc12
• InChI: InChI=1S/C36H38F6N8O.C36H45F3N6O.C36H43F3N6O.C35H40F3N7/c1-21-29-13-25(31(45-32(29)50(46-21)34(2,3)4)48(17-22-5-6-22)18-23-7-8-23)20-49(33-43-15-26(16-44-33)30-9-10-51-47-30)19-24-11-27(35(37,38)39)14-28(12-24)36(40,41)42;1-24-14-27(16-30(15-24)36(37,38)39)22-45(34-40-18-31(19-41-34)43-10-12-46-13-11-43)23-29-17-28-8-9-35(2,3)32(28)42-33(29)44(20-25-4-5-25)21-26-6-7-26;1-23-13-26(15-29(14-23)36(37,38)39)21-44(34-40-17-30(18-41-34)45-12-4-5-31(45)46)22-28-16-27-10-11-35(2,3)32(27)42-33(28)43(19-24-6-7-24)20-25-8-9-25;1-22-12-25(14-29(13-22)35(36,37)38)20-45(33-39-16-28(17-40-33)30-9-11-41-43-30)21-27-15-26-8-10-34(2,3)31(26)42-32(27)44(18-23-4-5-23)19-24-6-7-24/h9-16,22-23H,5-8,17-20H2,1-4H3;14-19,25-26H,4-13,20-23H2,1-3H3;13-18,24-25H,4-12,19-22H2,1-3H3;9,11-17,23-24H,4-8,10,18-21H2,1-3H3,(H,41,43)
• InChIKey: RKILAZYVLXQGAE-UHFFFAOYSA-N
• XLogP: 30.93
• TPSA: 285.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 44
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2596.06
LogP ≤ 5	30.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine?

The IUPAC name of 1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine (CID 160650378) is 1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine.

What is the SMILES notation for 1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine?

The canonical SMILES for 1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine is Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)c2ncc(-c3ccn[nH]3)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)c2ncc(N3CCCC3=O)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)c2ncc(N3CCOCC3)cn2)cc(C(F)(F)F)c1.Cc1nn(C(C)(C)C)c2nc(N(CC3CC3)CC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(-c4ccon4)cn3)cc12.

What is the InChIKey of 1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine?

The InChIKey is RKILAZYVLXQGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38F6N8O.C36H45F3N6O.C36H43F3N6O.C35H40F3N7/c1-21-29-13-25(31(45-32(29)50(46-21)34(2,3)4)48(17-22-5-6-22)18-23-7-8-23)20-49(33-43-15-26(16-44-33)30-9-10-51-47-30)19-24-11-27(35(37,38)39)14-28(12-24)36(40,41)42;1-24-14-27(16-30(15-24)36(37,38)39)22-45(34-40-18-31(19-41-34)43-10-12-46-13-11-43)23-29-17-28-8-9-35(2,3)32(28)42-33(29)44(20-25-4-5-25)21-26-6-7-26;1-23-13-26(15-29(14-23)36(37,38)39)21-44(34-40-17-30(18-41-34)45-12-4-5-31(45)46)22-28-16-27-10-11-35(2,3)32(27)42-33(28)43(19-24-6-7-24)20-25-8-9-25;1-22-12-25(14-29(13-22)35(36,37)38)20-45(33-39-16-28(17-40-33)30-9-11-41-43-30)21-27-15-26-8-10-34(2,3)31(26)42-32(27)44(18-23-4-5-23)19-24-6-7-24/h9-16,22-23H,5-8,17-20H2,1-4H3;14-19,25-26H,4-13,20-23H2,1-3H3;13-18,24-25H,4-12,19-22H2,1-3H3;9,11-17,23-24H,4-8,10,18-21H2,1-3H3,(H,41,43).

What are the key properties of 1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine?

1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine has a molecular weight of 2596.06 g/mol, XLogP of 30.93, 44 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 160650378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).