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

C23H20ClFN6O4 — CID 167375416

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

1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-fluoro-1,2-benzoxazol-3-yl)piperidine-4-carboxamide (PubChem CID 167375416) has the molecular formula C23H20ClFN6O4 and a molecular weight of 498.90 g/mol. Its IUPAC name is 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-fluoro-1,2-benzoxazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-fluoro-1,2-benzoxazol-3-yl)piperidine-4-carboxamide
• PubChem CID: 167375416
• Molecular Formula: C23H20ClFN6O4
• Molecular Weight: 498.90 g/mol
• Exact Mass: 498.12
• IUPAC Name: 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-fluoro-1,2-benzoxazol-3-yl)piperidine-4-carboxamide
• SMILES: COc1cc(-c2cc(C(=O)N3CCC(C(=O)Nc4noc5cccc(F)c45)CC3)[nH]n2)c(Cl)cn1
• InChI: InChI=1S/C23H20ClFN6O4/c1-34-19-9-13(14(24)11-26-19)16-10-17(29-28-16)23(33)31-7-5-12(6-8-31)22(32)27-21-20-15(25)3-2-4-18(20)35-30-21/h2-4,9-12H,5-8H2,1H3,(H,28,29)(H,27,30,32)
• InChIKey: GWOBWOVIFDSSJX-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 126.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.90
LogP ≤ 5	3.90
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-(4-fluoro-1,2-benzoxazol-3-yl)piperidine-4-carboxamide?

The IUPAC name of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-fluoro-1,2-benzoxazol-3-yl)piperidine-4-carboxamide (CID 167375416) is 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-fluoro-1,2-benzoxazol-3-yl)piperidine-4-carboxamide.

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

The canonical SMILES for 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-fluoro-1,2-benzoxazol-3-yl)piperidine-4-carboxamide is COc1cc(-c2cc(C(=O)N3CCC(C(=O)Nc4noc5cccc(F)c45)CC3)[nH]n2)c(Cl)cn1.

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

The InChIKey is GWOBWOVIFDSSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN6O4/c1-34-19-9-13(14(24)11-26-19)16-10-17(29-28-16)23(33)31-7-5-12(6-8-31)22(32)27-21-20-15(25)3-2-4-18(20)35-30-21/h2-4,9-12H,5-8H2,1H3,(H,28,29)(H,27,30,32).

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

1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-fluoro-1,2-benzoxazol-3-yl)piperidine-4-carboxamide has a molecular weight of 498.90 g/mol, XLogP of 3.90, 5 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-(4-fluoro-1,2-benzoxazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 167375416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).