1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2,3-difluorophenyl)piperidine-4-carboxamide

C22H20ClF2N5O3 — CID 163295884

About 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2,3-difluorophenyl)piperidine-4-carboxamide

1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2,3-difluorophenyl)piperidine-4-carboxamide (PubChem CID 163295884) has the molecular formula C22H20ClF2N5O3 and a molecular weight of 475.88 g/mol. Its IUPAC name is 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2,3-difluorophenyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2,3-difluorophenyl)piperidine-4-carboxamide
• PubChem CID: 163295884
• Molecular Formula: C22H20ClF2N5O3
• Molecular Weight: 475.88 g/mol
• Exact Mass: 475.12
• IUPAC Name: 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2,3-difluorophenyl)piperidine-4-carboxamide
• SMILES: COc1cc(-c2cc(C(=O)N3CCC(C(=O)Nc4cccc(F)c4F)CC3)[nH]n2)c(Cl)cn1
• InChI: InChI=1S/C22H20ClF2N5O3/c1-33-19-9-13(14(23)11-26-19)17-10-18(29-28-17)22(32)30-7-5-12(6-8-30)21(31)27-16-4-2-3-15(24)20(16)25/h2-4,9-12H,5-8H2,1H3,(H,27,31)(H,28,29)
• InChIKey: SZTNYKULLOVTRS-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.88
LogP ≤ 5	3.90
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-(2,3-difluorophenyl)piperidine-4-carboxamide?

The IUPAC name of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2,3-difluorophenyl)piperidine-4-carboxamide (CID 163295884) is 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2,3-difluorophenyl)piperidine-4-carboxamide.

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

The canonical SMILES for 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2,3-difluorophenyl)piperidine-4-carboxamide is COc1cc(-c2cc(C(=O)N3CCC(C(=O)Nc4cccc(F)c4F)CC3)[nH]n2)c(Cl)cn1.

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

The InChIKey is SZTNYKULLOVTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF2N5O3/c1-33-19-9-13(14(23)11-26-19)17-10-18(29-28-17)22(32)30-7-5-12(6-8-30)21(31)27-16-4-2-3-15(24)20(16)25/h2-4,9-12H,5-8H2,1H3,(H,27,31)(H,28,29).

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

1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2,3-difluorophenyl)piperidine-4-carboxamide has a molecular weight of 475.88 g/mol, XLogP of 3.90, 5 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-(2,3-difluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 163295884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).