(7R)-1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide

C27H26FN5O3 — CID 134433195

About (7R)-1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide

(7R)-1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 134433195) has the molecular formula C27H26FN5O3 and a molecular weight of 487.54 g/mol. Its IUPAC name is (7R)-1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (7R)-1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
• PubChem CID: 134433195
• Molecular Formula: C27H26FN5O3
• Molecular Weight: 487.54 g/mol
• Exact Mass: 487.20
• IUPAC Name: (7R)-1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
• SMILES: COc1ccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)C[C@H]3C)cc1
• InChI: InChI=1S/C27H26FN5O3/c1-17-14-32(27(35)23-4-3-13-29-23)16-22-24(26(34)30-20-9-11-21(36-2)12-10-20)31-33(25(17)22)15-18-5-7-19(28)8-6-18/h3-13,17,29H,14-16H2,1-2H3,(H,30,34)/t17-/m1/s1
• InChIKey: CQBKOHTVPSDGEA-QGZVFWFLSA-N
• XLogP: 4.42
• TPSA: 92.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.54
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7R)-1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?

The IUPAC name of (7R)-1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (CID 134433195) is (7R)-1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.

What is the SMILES notation for (7R)-1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?

The canonical SMILES for (7R)-1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is COc1ccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)C[C@H]3C)cc1.

What is the InChIKey of (7R)-1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?

The InChIKey is CQBKOHTVPSDGEA-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H26FN5O3/c1-17-14-32(27(35)23-4-3-13-29-23)16-22-24(26(34)30-20-9-11-21(36-2)12-10-20)31-33(25(17)22)15-18-5-7-19(28)8-6-18/h3-13,17,29H,14-16H2,1-2H3,(H,30,34)/t17-/m1/s1.

What are the key properties of (7R)-1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?

(7R)-1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 487.54 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 134433195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).