5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine

C34H38F6N8O — CID 71539680

About 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine

5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine (PubChem CID 71539680) has the molecular formula C34H38F6N8O and a molecular weight of 688.72 g/mol. Its IUPAC name is 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine.

Molecular Properties

• Compound Name: 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine
• PubChem CID: 71539680
• Molecular Formula: C34H38F6N8O
• Molecular Weight: 688.72 g/mol
• Exact Mass: 688.31
• IUPAC Name: 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine
• SMILES: Cc1nn(C)c2nc(N(CC3CC3)CC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(N4CCOCC4)cn3)cc12
• InChI: InChI=1S/C34H38F6N8O/c1-21-29-13-25(30(43-31(29)45(2)44-21)47(17-22-3-4-22)18-23-5-6-23)20-48(32-41-15-28(16-42-32)46-7-9-49-10-8-46)19-24-11-26(33(35,36)37)14-27(12-24)34(38,39)40/h11-16,22-23H,3-10,17-20H2,1-2H3
• InChIKey: OZJFYIOMAVRCBY-UHFFFAOYSA-N
• XLogP: 6.77
• TPSA: 75.44 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.72
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?

The IUPAC name of 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine (CID 71539680) is 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine.

What is the SMILES notation for 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?

The canonical SMILES for 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine is Cc1nn(C)c2nc(N(CC3CC3)CC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(N4CCOCC4)cn3)cc12.

What is the InChIKey of 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?

The InChIKey is OZJFYIOMAVRCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F6N8O/c1-21-29-13-25(30(43-31(29)45(2)44-21)47(17-22-3-4-22)18-23-5-6-23)20-48(32-41-15-28(16-42-32)46-7-9-49-10-8-46)19-24-11-26(33(35,36)37)14-27(12-24)34(38,39)40/h11-16,22-23H,3-10,17-20H2,1-2H3.

What are the key properties of 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?

5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine has a molecular weight of 688.72 g/mol, XLogP of 6.77, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 71539680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).