2-(cyclopentylamino)-N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide;2,2,2-trifluoroacetic acid

C30H31F6N5O5 — CID 87940954

About 2-(cyclopentylamino)-N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide;2,2,2-trifluoroacetic acid

2-(cyclopentylamino)-N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 87940954) has the molecular formula C30H31F6N5O5 and a molecular weight of 655.60 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-(cyclopentylamino)-N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 87940954
• Molecular Formula: C30H31F6N5O5
• Molecular Weight: 655.60 g/mol
• Exact Mass: 655.22
• IUPAC Name: 2-(cyclopentylamino)-N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide;2,2,2-trifluoroacetic acid
• SMILES: COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N(C)C(=O)CNC4CCCC4)cc2)CC3)cc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C28H30F3N5O3.C2HF3O2/c1-34(24(37)17-32-18-5-3-4-6-18)19-7-9-20(10-8-19)35-16-15-23-25(27(35)38)36(33-26(23)28(29,30)31)21-11-13-22(39-2)14-12-21;3-2(4,5)1(6)7/h7-14,18,32H,3-6,15-17H2,1-2H3;(H,6,7)
• InChIKey: CUZDFJWEOMXTOJ-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 117.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.60
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-(cyclopentylamino)-N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide;2,2,2-trifluoroacetic acid (CID 87940954) is 2-(cyclopentylamino)-N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-(cyclopentylamino)-N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-(cyclopentylamino)-N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide;2,2,2-trifluoroacetic acid is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N(C)C(=O)CNC4CCCC4)cc2)CC3)cc1.O=C(O)C(F)(F)F.

What is the InChIKey of 2-(cyclopentylamino)-N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide;2,2,2-trifluoroacetic acid?

The InChIKey is CUZDFJWEOMXTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N5O3.C2HF3O2/c1-34(24(37)17-32-18-5-3-4-6-18)19-7-9-20(10-8-19)35-16-15-23-25(27(35)38)36(33-26(23)28(29,30)31)21-11-13-22(39-2)14-12-21;3-2(4,5)1(6)7/h7-14,18,32H,3-6,15-17H2,1-2H3;(H,6,7).

What are the key properties of 2-(cyclopentylamino)-N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide;2,2,2-trifluoroacetic acid?

2-(cyclopentylamino)-N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 655.60 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclopentylamino)-N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87940954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).