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

C25H30ClN5O3 — CID 95052903

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

(3R)-1-[5-[2-(4-chlorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-cyclopropylpiperidine-3-carboxamide (PubChem CID 95052903) has the molecular formula C25H30ClN5O3 and a molecular weight of 484.00 g/mol. Its IUPAC name is (3R)-1-[5-[2-(4-chlorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-cyclopropylpiperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[5-[2-(4-chlorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-cyclopropylpiperidine-3-carboxamide
• PubChem CID: 95052903
• Molecular Formula: C25H30ClN5O3
• Molecular Weight: 484.00 g/mol
• Exact Mass: 483.20
• IUPAC Name: (3R)-1-[5-[2-(4-chlorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-cyclopropylpiperidine-3-carboxamide
• SMILES: Cn1nc(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)c2c1CCN(C(=O)Cc1ccc(Cl)cc1)C2
• InChI: InChI=1S/C25H30ClN5O3/c1-29-21-10-12-30(22(32)13-16-4-6-18(26)7-5-16)15-20(21)23(28-29)25(34)31-11-2-3-17(14-31)24(33)27-19-8-9-19/h4-7,17,19H,2-3,8-15H2,1H3,(H,27,33)/t17-/m1/s1
• InChIKey: HDUSJYONTCJXBQ-QGZVFWFLSA-N
• XLogP: 2.33
• 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	484.00
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3R)-1-[5-[2-(4-chlorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-cyclopropylpiperidine-3-carboxamide (CID 95052903) is (3R)-1-[5-[2-(4-chlorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-cyclopropylpiperidine-3-carboxamide.

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

The canonical SMILES for (3R)-1-[5-[2-(4-chlorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-cyclopropylpiperidine-3-carboxamide is Cn1nc(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)c2c1CCN(C(=O)Cc1ccc(Cl)cc1)C2.

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

The InChIKey is HDUSJYONTCJXBQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H30ClN5O3/c1-29-21-10-12-30(22(32)13-16-4-6-18(26)7-5-16)15-20(21)23(28-29)25(34)31-11-2-3-17(14-31)24(33)27-19-8-9-19/h4-7,17,19H,2-3,8-15H2,1H3,(H,27,33)/t17-/m1/s1.

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

(3R)-1-[5-[2-(4-chlorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-cyclopropylpiperidine-3-carboxamide has a molecular weight of 484.00 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[5-[2-(4-chlorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-cyclopropylpiperidine-3-carboxamide is sourced from PubChem (CID 95052903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).