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

C23H21N5O — CID 122186073

IUPAC1-benzyl-4-(3-pyridin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
SMILESO=c1cc(N2CCc3[nH]nc(-c4cccnc4)c3C2)ccn1Cc1ccccc1
InChIInChI=1S/C23H21N5O/c29-22-13-19(8-11-28(22)15-17-5-2-1-3-6-17)27-12-9-21-20(16-27)23(26-25-21)18-7-4-10-24-14-18/h1-8,10-11,13-14H,9,12,15-16H2,(H,25,26)
InChIKeyCWNOZEZGWKTAET-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.24
Rot. Bonds4

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

1-benzyl-4-(3-pyridin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one (PubChem CID 122186073) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 1-benzyl-4-(3-pyridin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(3-pyridin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
PubChem CID122186073
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name1-benzyl-4-(3-pyridin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
SMILESO=c1cc(N2CCc3[nH]nc(-c4cccnc4)c3C2)ccn1Cc1ccccc1
InChIInChI=1S/C23H21N5O/c29-22-13-19(8-11-28(22)15-17-5-2-1-3-6-17)27-12-9-21-20(16-27)23(26-25-21)18-7-4-10-24-14-18/h1-8,10-11,13-14H,9,12,15-16H2,(H,25,26)
InChIKeyCWNOZEZGWKTAET-UHFFFAOYSA-N
XLogP3.24
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 1-benzyl-4-(3-pyridin-3-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

Related Compounds

FR-194921
CID 9821511
(E)-N-hydroxy-3-[4-[1-[2-(2-pyridin-3-ylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 44234773
US10022354, Example 71
CID 121279677
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568496
1-Benzyl-4-[3-(Pyridin-4-Yl)-2,4,6,7-Tetrahydro-5h-Pyrazolo[4,3-C]pyridin-5-Yl]pyridin-2(1h)-One
CID 91819624
4-[3-(Pyridin-4-Yl)-2,4,6,7-Tetrahydro-5h-Pyrazolo[4,3-C]pyridin-5-Yl]pyridin-2(1h)-One
CID 91819626
(E)-3-[4-[[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 53363092
(E)-N-hydroxy-3-[4-[[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide
CID 53364357
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
1-[(3-Chlorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
CID 122186075
1-[(3-Bromophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
CID 122186076
1-[(3-Methylsulfonylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
CID 122186077

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-pyridin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one?
The IUPAC name of 1-benzyl-4-(3-pyridin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one (CID 122186073) is 1-benzyl-4-(3-pyridin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-4-(3-pyridin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one?
The canonical SMILES for 1-benzyl-4-(3-pyridin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one is O=c1cc(N2CCc3[nH]nc(-c4cccnc4)c3C2)ccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-(3-pyridin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one?
The InChIKey is CWNOZEZGWKTAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c29-22-13-19(8-11-28(22)15-17-5-2-1-3-6-17)27-12-9-21-20(16-27)23(26-25-21)18-7-4-10-24-14-18/h1-8,10-11,13-14H,9,12,15-16H2,(H,25,26).
What are the key properties of 1-benzyl-4-(3-pyridin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one?
1-benzyl-4-(3-pyridin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one has a molecular weight of 383.46 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-pyridin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one is sourced from PubChem (CID 122186073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).