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

C34H41F3N8O — CID 118642745

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

N,N-bis(cyclopropylmethyl)-1,3-dimethyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine (PubChem CID 118642745) has the molecular formula C34H41F3N8O and a molecular weight of 634.75 g/mol. Its IUPAC name is N,N-bis(cyclopropylmethyl)-1,3-dimethyl-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: N,N-bis(cyclopropylmethyl)-1,3-dimethyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine
• PubChem CID: 118642745
• Molecular Formula: C34H41F3N8O
• Molecular Weight: 634.75 g/mol
• Exact Mass: 634.34
• IUPAC Name: N,N-bis(cyclopropylmethyl)-1,3-dimethyl-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)c3nc2N(CC2CC2)CC2CC2)c2ncc(N3CCOCC3)cn2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C34H41F3N8O/c1-22-12-26(14-28(13-22)34(35,36)37)20-45(33-38-16-29(17-39-33)43-8-10-46-11-9-43)21-27-15-30-23(2)41-42(3)32(30)40-31(27)44(18-24-4-5-24)19-25-6-7-25/h12-17,24-25H,4-11,18-21H2,1-3H3
• InChIKey: GLSFYSAOMSNRPP-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 75.44 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.75
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclopropylmethyl)-1,3-dimethyl-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 N,N-bis(cyclopropylmethyl)-1,3-dimethyl-5-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]pyrazolo[5,4-b]pyridin-6-amine (CID 118642745) is N,N-bis(cyclopropylmethyl)-1,3-dimethyl-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 N,N-bis(cyclopropylmethyl)-1,3-dimethyl-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 N,N-bis(cyclopropylmethyl)-1,3-dimethyl-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)c3nc2N(CC2CC2)CC2CC2)c2ncc(N3CCOCC3)cn2)cc(C(F)(F)F)c1.

What is the InChIKey of N,N-bis(cyclopropylmethyl)-1,3-dimethyl-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 GLSFYSAOMSNRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41F3N8O/c1-22-12-26(14-28(13-22)34(35,36)37)20-45(33-38-16-29(17-39-33)43-8-10-46-11-9-43)21-27-15-30-23(2)41-42(3)32(30)40-31(27)44(18-24-4-5-24)19-25-6-7-25/h12-17,24-25H,4-11,18-21H2,1-3H3.

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

N,N-bis(cyclopropylmethyl)-1,3-dimethyl-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 634.75 g/mol, XLogP of 6.06, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(cyclopropylmethyl)-1,3-dimethyl-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 118642745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).