1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2-methylpiperidine-4-carboxamide

C24H25Cl2N5O3 — CID 163294916

About 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2-methylpiperidine-4-carboxamide

1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2-methylpiperidine-4-carboxamide (PubChem CID 163294916) has the molecular formula C24H25Cl2N5O3 and a molecular weight of 502.40 g/mol. Its IUPAC name is 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2-methylpiperidine-4-carboxamide
• PubChem CID: 163294916
• Molecular Formula: C24H25Cl2N5O3
• Molecular Weight: 502.40 g/mol
• Exact Mass: 501.13
• IUPAC Name: 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2-methylpiperidine-4-carboxamide
• SMILES: COc1cc(-c2cc(C(=O)N3CCC(C(=O)NCc4cccc(Cl)c4)CC3C)[nH]n2)c(Cl)cn1
• InChI: InChI=1S/C24H25Cl2N5O3/c1-14-8-16(23(32)28-12-15-4-3-5-17(25)9-15)6-7-31(14)24(33)21-11-20(29-30-21)18-10-22(34-2)27-13-19(18)26/h3-5,9-11,13-14,16H,6-8,12H2,1-2H3,(H,28,32)(H,29,30)
• InChIKey: MBPZADWQFXZVOO-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.40
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2-methylpiperidine-4-carboxamide?

The IUPAC name of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2-methylpiperidine-4-carboxamide (CID 163294916) is 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2-methylpiperidine-4-carboxamide.

What is the SMILES notation for 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2-methylpiperidine-4-carboxamide?

The canonical SMILES for 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2-methylpiperidine-4-carboxamide is COc1cc(-c2cc(C(=O)N3CCC(C(=O)NCc4cccc(Cl)c4)CC3C)[nH]n2)c(Cl)cn1.

What is the InChIKey of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2-methylpiperidine-4-carboxamide?

The InChIKey is MBPZADWQFXZVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N5O3/c1-14-8-16(23(32)28-12-15-4-3-5-17(25)9-15)6-7-31(14)24(33)21-11-20(29-30-21)18-10-22(34-2)27-13-19(18)26/h3-5,9-11,13-14,16H,6-8,12H2,1-2H3,(H,28,32)(H,29,30).

What are the key properties of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2-methylpiperidine-4-carboxamide?

1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 502.40 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3-chlorophenyl)methyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 163294916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).