[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone

C23H25FN4O2 — CID 45250420

About [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone

[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone (PubChem CID 45250420) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone
• PubChem CID: 45250420
• Molecular Formula: C23H25FN4O2
• Molecular Weight: 408.48 g/mol
• Exact Mass: 408.20
• IUPAC Name: [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone
• SMILES: O=C(C1CCCN(Cc2ccco2)C1)N1CCc2[nH]nc(-c3ccccc3F)c2C1
• InChI: InChI=1S/C23H25FN4O2/c24-20-8-2-1-7-18(20)22-19-15-28(11-9-21(19)25-26-22)23(29)16-5-3-10-27(13-16)14-17-6-4-12-30-17/h1-2,4,6-8,12,16H,3,5,9-11,13-15H2,(H,25,26)
• InChIKey: XIFPQWJVHHULAQ-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 65.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.48
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone?

The IUPAC name of [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone (CID 45250420) is [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone.

What is the SMILES notation for [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone?

The canonical SMILES for [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone is O=C(C1CCCN(Cc2ccco2)C1)N1CCc2[nH]nc(-c3ccccc3F)c2C1.

What is the InChIKey of [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone?

The InChIKey is XIFPQWJVHHULAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-20-8-2-1-7-18(20)22-19-15-28(11-9-21(19)25-26-22)23(29)16-5-3-10-27(13-16)14-17-6-4-12-30-17/h1-2,4,6-8,12,16H,3,5,9-11,13-15H2,(H,25,26).

What are the key properties of [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone?

[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 408.48 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 45250420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).