1-[(3-fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one

C₂₃H₂₀FN₅O — CID 122186074

About 1-[(3-fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one

1-[(3-fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one (PubChem CID 122186074) has the molecular formula C₂₃H₂₀FN₅O and a molecular weight of 401.45 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one.

Molecular Properties

• Compound Name: 1-[(3-fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
• PubChem CID: 122186074
• Molecular Formula: C₂₃H₂₀FN₅O
• Molecular Weight: 401.45 g/mol
• Exact Mass: 401.17
• IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
• SMILES: O=c1cc(N2CCc3[nH]nc(-c4ccncc4)c3C2)ccn1Cc1cccc(F)c1
• InChI: InChI=1S/C23H20FN5O/c24-18-3-1-2-16(12-18)14-29-10-6-19(13-22(29)30)28-11-7-21-20(15-28)23(27-26-21)17-4-8-25-9-5-17/h1-6,8-10,12-13H,7,11,14-15H2,(H,26,27)
• InChIKey: GXNWPHUFPZULJH-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.45
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one (CID 122186074) is 1-[(3-fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one.

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

The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one is O=c1cc(N2CCc3[nH]nc(-c4ccncc4)c3C2)ccn1Cc1cccc(F)c1.

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

The InChIKey is GXNWPHUFPZULJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c24-18-3-1-2-16(12-18)14-29-10-6-19(13-22(29)30)28-11-7-21-20(15-28)23(27-26-21)17-4-8-25-9-5-17/h1-6,8-10,12-13H,7,11,14-15H2,(H,26,27).

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

1-[(3-fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one has a molecular weight of 401.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one is sourced from PubChem (CID 122186074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122186074 — identifiers, structure, computed properties (public domain)

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