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

C23H20FN5O — CID 122186079

IUPAC1-[(4-fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
SMILESO=c1cc(N2CCc3[nH]nc(-c4ccncc4)c3C2)ccn1Cc1ccc(F)cc1
InChIInChI=1S/C23H20FN5O/c24-18-3-1-16(2-4-18)14-29-11-7-19(13-22(29)30)28-12-8-21-20(15-28)23(27-26-21)17-5-9-25-10-6-17/h1-7,9-11,13H,8,12,14-15H2,(H,26,27)
InChIKeyWRPUNRCYSPEMPF-UHFFFAOYSA-N
MW401.45 g/mol
LogP3.38
Rot. Bonds4

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

1-[(4-fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one (PubChem CID 122186079) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
PubChem CID122186079
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC Name1-[(4-fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
SMILESO=c1cc(N2CCc3[nH]nc(-c4ccncc4)c3C2)ccn1Cc1ccc(F)cc1
InChIInChI=1S/C23H20FN5O/c24-18-3-1-16(2-4-18)14-29-11-7-19(13-22(29)30)28-12-8-21-20(15-28)23(27-26-21)17-5-9-25-10-6-17/h1-7,9-11,13H,8,12,14-15H2,(H,26,27)
InChIKeyWRPUNRCYSPEMPF-UHFFFAOYSA-N
XLogP3.38
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-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-[(4-fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one (CID 122186079) is 1-[(4-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-[(4-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-[(4-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)ccn1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one?
The InChIKey is WRPUNRCYSPEMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c24-18-3-1-16(2-4-18)14-29-11-7-19(13-22(29)30)28-12-8-21-20(15-28)23(27-26-21)17-5-9-25-10-6-17/h1-7,9-11,13H,8,12,14-15H2,(H,26,27).
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one?
1-[(4-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-[(4-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 122186079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).