(3R)-1-[1-methyl-5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-(2-methylphenyl)piperidine-3-carboxamide

C26H35N5O3 — CID 95052948

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

(3R)-1-[1-methyl-5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-(2-methylphenyl)piperidine-3-carboxamide (PubChem CID 95052948) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is (3R)-1-[1-methyl-5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-(2-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[1-methyl-5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-(2-methylphenyl)piperidine-3-carboxamide
• PubChem CID: 95052948
• Molecular Formula: C26H35N5O3
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.27
• IUPAC Name: (3R)-1-[1-methyl-5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-(2-methylphenyl)piperidine-3-carboxamide
• SMILES: Cc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2nn(C)c3c2CN(C(=O)CC(C)C)CC3)C1
• InChI: InChI=1S/C26H35N5O3/c1-17(2)14-23(32)30-13-11-22-20(16-30)24(28-29(22)4)26(34)31-12-7-9-19(15-31)25(33)27-21-10-6-5-8-18(21)3/h5-6,8,10,17,19H,7,9,11-16H2,1-4H3,(H,27,33)/t19-/m1/s1
• InChIKey: VVKAJUMJQJZJNI-LJQANCHMSA-N
• XLogP: 3.15
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.60
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3R)-1-[1-methyl-5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-(2-methylphenyl)piperidine-3-carboxamide (CID 95052948) is (3R)-1-[1-methyl-5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-(2-methylphenyl)piperidine-3-carboxamide.

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

The canonical SMILES for (3R)-1-[1-methyl-5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-(2-methylphenyl)piperidine-3-carboxamide is Cc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2nn(C)c3c2CN(C(=O)CC(C)C)CC3)C1.

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

The InChIKey is VVKAJUMJQJZJNI-LJQANCHMSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-17(2)14-23(32)30-13-11-22-20(16-30)24(28-29(22)4)26(34)31-12-7-9-19(15-31)25(33)27-21-10-6-5-8-18(21)3/h5-6,8,10,17,19H,7,9,11-16H2,1-4H3,(H,27,33)/t19-/m1/s1.

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

(3R)-1-[1-methyl-5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-(2-methylphenyl)piperidine-3-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[1-methyl-5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-(2-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 95052948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).