[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone

C19H17FN4O — CID 46989048

About [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone

[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone (PubChem CID 46989048) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone
• PubChem CID: 46989048
• Molecular Formula: C19H17FN4O
• Molecular Weight: 336.37 g/mol
• Exact Mass: 336.14
• IUPAC Name: [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone
• SMILES: Cc1cncc(C(=O)N2CCc3[nH]nc(-c4ccc(F)cc4)c3C2)c1
• InChI: InChI=1S/C19H17FN4O/c1-12-8-14(10-21-9-12)19(25)24-7-6-17-16(11-24)18(23-22-17)13-2-4-15(20)5-3-13/h2-5,8-10H,6-7,11H2,1H3,(H,22,23)
• InChIKey: XSBORXPPOAVYNA-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.37
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone?

The IUPAC name of [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone (CID 46989048) is [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone.

What is the SMILES notation for [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone?

The canonical SMILES for [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone is Cc1cncc(C(=O)N2CCc3[nH]nc(-c4ccc(F)cc4)c3C2)c1.

What is the InChIKey of [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone?

The InChIKey is XSBORXPPOAVYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-12-8-14(10-21-9-12)19(25)24-7-6-17-16(11-24)18(23-22-17)13-2-4-15(20)5-3-13/h2-5,8-10H,6-7,11H2,1H3,(H,22,23).

What are the key properties of [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone?

[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone has a molecular weight of 336.37 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 46989048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).