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

C35H34F6N6O — CID 87898508

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

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[N-(dicyclopropylmethyl)anilino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 87898508) has the molecular formula C35H34F6N6O and a molecular weight of 668.69 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[N-(dicyclopropylmethyl)anilino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[N-(dicyclopropylmethyl)anilino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-5-methyl-1,2-oxazol-3-amine
• PubChem CID: 87898508
• Molecular Formula: C35H34F6N6O
• Molecular Weight: 668.69 g/mol
• Exact Mass: 668.27
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[N-(dicyclopropylmethyl)anilino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]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(c2ccccc2)C(C2CC2)C2CC2)no1
• InChI: InChI=1S/C35H34F6N6O/c1-20-13-30(44-48-20)46(18-22-14-26(34(36,37)38)17-27(15-22)35(39,40)41)19-25-16-29-21(2)43-45(3)33(29)42-32(25)47(28-7-5-4-6-8-28)31(23-9-10-23)24-11-12-24/h4-8,13-17,23-24,31H,9-12,18-19H2,1-3H3
• InChIKey: SHDNEEBVPDMDIV-UHFFFAOYSA-N
• XLogP: 9.14
• TPSA: 63.22 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.69
LogP ≤ 5	9.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[N-(dicyclopropylmethyl)anilino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-5-methyl-1,2-oxazol-3-amine (CID 87898508) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[N-(dicyclopropylmethyl)anilino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-5-methyl-1,2-oxazol-3-amine.

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

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[N-(dicyclopropylmethyl)anilino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]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(c2ccccc2)C(C2CC2)C2CC2)no1.

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

The InChIKey is SHDNEEBVPDMDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34F6N6O/c1-20-13-30(44-48-20)46(18-22-14-26(34(36,37)38)17-27(15-22)35(39,40)41)19-25-16-29-21(2)43-45(3)33(29)42-32(25)47(28-7-5-4-6-8-28)31(23-9-10-23)24-11-12-24/h4-8,13-17,23-24,31H,9-12,18-19H2,1-3H3.

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

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[N-(dicyclopropylmethyl)anilino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-5-methyl-1,2-oxazol-3-amine has a molecular weight of 668.69 g/mol, XLogP of 9.14, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[N-(dicyclopropylmethyl)anilino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 87898508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).