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

C30H32F6N6O — CID 11556246

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

N-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 11556246) has the molecular formula C30H32F6N6O and a molecular weight of 606.62 g/mol. Its IUPAC name is N-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

• Compound Name: N-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine
• PubChem CID: 11556246
• Molecular Formula: C30H32F6N6O
• Molecular Weight: 606.62 g/mol
• Exact Mass: 606.25
• IUPAC Name: N-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine
• SMILES: Cc1cc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc3c(C)nn(C)c3nc2N(CC2CC2)CC2CC2)no1
• InChI: InChI=1S/C30H32F6N6O/c1-17-8-26(39-43-17)41(15-21-9-23(29(31,32)33)12-24(10-21)30(34,35)36)16-22-11-25-18(2)38-40(3)28(25)37-27(22)42(13-19-4-5-19)14-20-6-7-20/h8-12,19-20H,4-7,13-16H2,1-3H3
• InChIKey: FHCAIEMFCZHNRK-UHFFFAOYSA-N
• XLogP: 7.44
• TPSA: 63.22 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.62
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine (CID 11556246) is N-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine.

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

The canonical SMILES for N-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine is Cc1cc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc3c(C)nn(C)c3nc2N(CC2CC2)CC2CC2)no1.

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

The InChIKey is FHCAIEMFCZHNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F6N6O/c1-17-8-26(39-43-17)41(15-21-9-23(29(31,32)33)12-24(10-21)30(34,35)36)16-22-11-25-18(2)38-40(3)28(25)37-27(22)42(13-19-4-5-19)14-20-6-7-20/h8-12,19-20H,4-7,13-16H2,1-3H3.

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

N-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine has a molecular weight of 606.62 g/mol, XLogP of 7.44, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 11556246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).