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

C26H33N5O3 — CID 95052895

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

(3R)-N-cyclopropyl-1-[1-methyl-5-[2-(3-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide (PubChem CID 95052895) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1-[1-methyl-5-[2-(3-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-cyclopropyl-1-[1-methyl-5-[2-(3-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide
• PubChem CID: 95052895
• Molecular Formula: C26H33N5O3
• Molecular Weight: 463.58 g/mol
• Exact Mass: 463.26
• IUPAC Name: (3R)-N-cyclopropyl-1-[1-methyl-5-[2-(3-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide
• SMILES: Cc1cccc(CC(=O)N2CCc3c(c(C(=O)N4CCC[C@@H](C(=O)NC5CC5)C4)nn3C)C2)c1
• InChI: InChI=1S/C26H33N5O3/c1-17-5-3-6-18(13-17)14-23(32)30-12-10-22-21(16-30)24(28-29(22)2)26(34)31-11-4-7-19(15-31)25(33)27-20-8-9-20/h3,5-6,13,19-20H,4,7-12,14-16H2,1-2H3,(H,27,33)/t19-/m1/s1
• InChIKey: YATIIVLJSDTRAC-LJQANCHMSA-N
• XLogP: 1.99
• 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	463.58
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3R)-N-cyclopropyl-1-[1-methyl-5-[2-(3-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide (CID 95052895) is (3R)-N-cyclopropyl-1-[1-methyl-5-[2-(3-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide.

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

The canonical SMILES for (3R)-N-cyclopropyl-1-[1-methyl-5-[2-(3-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide is Cc1cccc(CC(=O)N2CCc3c(c(C(=O)N4CCC[C@@H](C(=O)NC5CC5)C4)nn3C)C2)c1.

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

The InChIKey is YATIIVLJSDTRAC-LJQANCHMSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-17-5-3-6-18(13-17)14-23(32)30-12-10-22-21(16-30)24(28-29(22)2)26(34)31-11-4-7-19(15-31)25(33)27-20-8-9-20/h3,5-6,13,19-20H,4,7-12,14-16H2,1-2H3,(H,27,33)/t19-/m1/s1.

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

(3R)-N-cyclopropyl-1-[1-methyl-5-[2-(3-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-cyclopropyl-1-[1-methyl-5-[2-(3-methylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 95052895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).