2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(3-methoxyphenyl)benzamide

C31H28F3N5O5 — CID 58630187

About 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(3-methoxyphenyl)benzamide

2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(3-methoxyphenyl)benzamide (PubChem CID 58630187) has the molecular formula C31H28F3N5O5 and a molecular weight of 607.59 g/mol. Its IUPAC name is 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(3-methoxyphenyl)benzamide.

Molecular Properties

• Compound Name: 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(3-methoxyphenyl)benzamide
• PubChem CID: 58630187
• Molecular Formula: C31H28F3N5O5
• Molecular Weight: 607.59 g/mol
• Exact Mass: 607.20
• IUPAC Name: 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(3-methoxyphenyl)benzamide
• SMILES: COc1cccc(NC(=O)c2cc(OC)ccc2-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c1
• InChI: InChI=1S/C31H28F3N5O5/c1-37(2)29(41)18-8-10-20(11-9-18)38-15-14-23-26(30(38)42)39(36-27(23)31(32,33)34)25-13-12-22(44-4)17-24(25)28(40)35-19-6-5-7-21(16-19)43-3/h5-13,16-17H,14-15H2,1-4H3,(H,35,40)
• InChIKey: QHJGQMXZGSURQV-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 106.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.59
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(3-methoxyphenyl)benzamide?

The IUPAC name of 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(3-methoxyphenyl)benzamide (CID 58630187) is 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(3-methoxyphenyl)benzamide.

What is the SMILES notation for 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(3-methoxyphenyl)benzamide?

The canonical SMILES for 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2cc(OC)ccc2-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c1.

What is the InChIKey of 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(3-methoxyphenyl)benzamide?

The InChIKey is QHJGQMXZGSURQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F3N5O5/c1-37(2)29(41)18-8-10-20(11-9-18)38-15-14-23-26(30(38)42)39(36-27(23)31(32,33)34)25-13-12-22(44-4)17-24(25)28(40)35-19-6-5-7-21(16-19)43-3/h5-13,16-17H,14-15H2,1-4H3,(H,35,40).

What are the key properties of 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(3-methoxyphenyl)benzamide?

2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(3-methoxyphenyl)benzamide has a molecular weight of 607.59 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 58630187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).