[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone

C18H15ClN4O — CID 108725845

About [3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone

[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone (PubChem CID 108725845) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is [3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone.

Molecular Properties

• Compound Name: [3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
• PubChem CID: 108725845
• Molecular Formula: C18H15ClN4O
• Molecular Weight: 338.80 g/mol
• Exact Mass: 338.09
• IUPAC Name: [3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
• SMILES: O=C(c1ccccn1)N1CCc2[nH]nc(-c3cccc(Cl)c3)c2C1
• InChI: InChI=1S/C18H15ClN4O/c19-13-5-3-4-12(10-13)17-14-11-23(9-7-15(14)21-22-17)18(24)16-6-1-2-8-20-16/h1-6,8,10H,7,9,11H2,(H,21,22)
• InChIKey: GWUNKVYTKRMIID-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.80
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone?

The IUPAC name of [3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone (CID 108725845) is [3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone.

What is the SMILES notation for [3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone?

The canonical SMILES for [3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCc2[nH]nc(-c3cccc(Cl)c3)c2C1.

What is the InChIKey of [3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone?

The InChIKey is GWUNKVYTKRMIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-13-5-3-4-12(10-13)17-14-11-23(9-7-15(14)21-22-17)18(24)16-6-1-2-8-20-16/h1-6,8,10H,7,9,11H2,(H,21,22).

What are the key properties of [3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone?

[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone has a molecular weight of 338.80 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 108725845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).