N-[(3-chlorophenyl)methyl]-8-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-8-azabicyclo[3.2.1]octane-3-carboxamide

C25H25ClFN5O2 — CID 167375356

About N-[(3-chlorophenyl)methyl]-8-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-8-azabicyclo[3.2.1]octane-3-carboxamide

N-[(3-chlorophenyl)methyl]-8-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-8-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 167375356) has the molecular formula C25H25ClFN5O2 and a molecular weight of 481.96 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-8-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-8-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3-chlorophenyl)methyl]-8-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-8-azabicyclo[3.2.1]octane-3-carboxamide
• PubChem CID: 167375356
• Molecular Formula: C25H25ClFN5O2
• Molecular Weight: 481.96 g/mol
• Exact Mass: 481.17
• IUPAC Name: N-[(3-chlorophenyl)methyl]-8-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-8-azabicyclo[3.2.1]octane-3-carboxamide
• SMILES: Cc1cc(-c2cc(C(=O)N3C4CCC3CC(C(=O)NCc3cccc(Cl)c3)C4)[nH]n2)c(F)cn1
• InChI: InChI=1S/C25H25ClFN5O2/c1-14-7-20(21(27)13-28-14)22-11-23(31-30-22)25(34)32-18-5-6-19(32)10-16(9-18)24(33)29-12-15-3-2-4-17(26)8-15/h2-4,7-8,11,13,16,18-19H,5-6,9-10,12H2,1H3,(H,29,33)(H,30,31)
• InChIKey: GVYLHEDCLURQFM-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.96
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-8-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-8-azabicyclo[3.2.1]octane-3-carboxamide?

The IUPAC name of N-[(3-chlorophenyl)methyl]-8-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-8-azabicyclo[3.2.1]octane-3-carboxamide (CID 167375356) is N-[(3-chlorophenyl)methyl]-8-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-8-azabicyclo[3.2.1]octane-3-carboxamide.

What is the SMILES notation for N-[(3-chlorophenyl)methyl]-8-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-8-azabicyclo[3.2.1]octane-3-carboxamide?

The canonical SMILES for N-[(3-chlorophenyl)methyl]-8-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-8-azabicyclo[3.2.1]octane-3-carboxamide is Cc1cc(-c2cc(C(=O)N3C4CCC3CC(C(=O)NCc3cccc(Cl)c3)C4)[nH]n2)c(F)cn1.

What is the InChIKey of N-[(3-chlorophenyl)methyl]-8-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-8-azabicyclo[3.2.1]octane-3-carboxamide?

The InChIKey is GVYLHEDCLURQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN5O2/c1-14-7-20(21(27)13-28-14)22-11-23(31-30-22)25(34)32-18-5-6-19(32)10-16(9-18)24(33)29-12-15-3-2-4-17(26)8-15/h2-4,7-8,11,13,16,18-19H,5-6,9-10,12H2,1H3,(H,29,33)(H,30,31).

What are the key properties of N-[(3-chlorophenyl)methyl]-8-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-8-azabicyclo[3.2.1]octane-3-carboxamide?

N-[(3-chlorophenyl)methyl]-8-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-8-azabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 481.96 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chlorophenyl)methyl]-8-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-8-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 167375356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).