1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxamide

C24H23ClFN7O3 — CID 163295231

About 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxamide

1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 163295231) has the molecular formula C24H23ClFN7O3 and a molecular weight of 511.95 g/mol. Its IUPAC name is 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxamide
• PubChem CID: 163295231
• Molecular Formula: C24H23ClFN7O3
• Molecular Weight: 511.95 g/mol
• Exact Mass: 511.15
• IUPAC Name: 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxamide
• SMILES: COc1cc(-c2cc(C(=O)N3CCC(C(=O)NCc4cn5cccc(F)c5n4)CC3)[nH]n2)c(Cl)cn1
• InChI: InChI=1S/C24H23ClFN7O3/c1-36-21-9-16(17(25)12-27-21)19-10-20(31-30-19)24(35)32-7-4-14(5-8-32)23(34)28-11-15-13-33-6-2-3-18(26)22(33)29-15/h2-3,6,9-10,12-14H,4-5,7-8,11H2,1H3,(H,28,34)(H,30,31)
• InChIKey: TVXVATWGRFLDIX-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 117.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.95
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxamide?

The IUPAC name of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxamide (CID 163295231) is 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxamide is COc1cc(-c2cc(C(=O)N3CCC(C(=O)NCc4cn5cccc(F)c5n4)CC3)[nH]n2)c(Cl)cn1.

What is the InChIKey of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxamide?

The InChIKey is TVXVATWGRFLDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN7O3/c1-36-21-9-16(17(25)12-27-21)19-10-20(31-30-19)24(35)32-7-4-14(5-8-32)23(34)28-11-15-13-33-6-2-3-18(26)22(33)29-15/h2-3,6,9-10,12-14H,4-5,7-8,11H2,1H3,(H,28,34)(H,30,31).

What are the key properties of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxamide?

1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 511.95 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 163295231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).