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

C26H35N5O3 — CID 95052953

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

(3R)-1-(1-methyl-5-pentanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-(2-methylphenyl)piperidine-3-carboxamide (PubChem CID 95052953) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is (3R)-1-(1-methyl-5-pentanoyl-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-pentanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-(2-methylphenyl)piperidine-3-carboxamide
• PubChem CID: 95052953
• Molecular Formula: C26H35N5O3
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.27
• IUPAC Name: (3R)-1-(1-methyl-5-pentanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-(2-methylphenyl)piperidine-3-carboxamide
• SMILES: CCCCC(=O)N1CCc2c(c(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4C)C3)nn2C)C1
• InChI: InChI=1S/C26H35N5O3/c1-4-5-12-23(32)30-15-13-22-20(17-30)24(28-29(22)3)26(34)31-14-8-10-19(16-31)25(33)27-21-11-7-6-9-18(21)2/h6-7,9,11,19H,4-5,8,10,12-17H2,1-3H3,(H,27,33)/t19-/m1/s1
• InChIKey: BIWQPABGABNVPY-LJQANCHMSA-N
• XLogP: 3.29
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.60
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-methyl-5-pentanoyl-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-pentanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-(2-methylphenyl)piperidine-3-carboxamide (CID 95052953) is (3R)-1-(1-methyl-5-pentanoyl-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-pentanoyl-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-pentanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-(2-methylphenyl)piperidine-3-carboxamide is CCCCC(=O)N1CCc2c(c(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4C)C3)nn2C)C1.

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

The InChIKey is BIWQPABGABNVPY-LJQANCHMSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-4-5-12-23(32)30-15-13-22-20(17-30)24(28-29(22)3)26(34)31-14-8-10-19(16-31)25(33)27-21-11-7-6-9-18(21)2/h6-7,9,11,19H,4-5,8,10,12-17H2,1-3H3,(H,27,33)/t19-/m1/s1.

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

(3R)-1-(1-methyl-5-pentanoyl-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 3.29, 6 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-pentanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-(2-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 95052953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).