3-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)chromen-2-one

C22H15N3O2 — CID 56834421

IUPAC3-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)chromen-2-one
SMILESCc1nn(-c2ccccc2)c2nc(-c3cc4ccccc4oc3=O)ccc12
InChIInChI=1S/C22H15N3O2/c1-14-17-11-12-19(18-13-15-7-5-6-10-20(15)27-22(18)26)23-21(17)25(24-14)16-8-3-2-4-9-16/h2-13H,1H3
InChIKeyXWPLLQMQIVFCDE-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.50
Rot. Bonds2

About 3-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)chromen-2-one

3-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)chromen-2-one (PubChem CID 56834421) has the molecular formula C22H15N3O2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)chromen-2-one.

Molecular Properties

Compound Name3-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)chromen-2-one
PubChem CID56834421
Molecular FormulaC22H15N3O2
Molecular Weight353.38 g/mol
Exact Mass353.12
IUPAC Name3-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)chromen-2-one
SMILESCc1nn(-c2ccccc2)c2nc(-c3cc4ccccc4oc3=O)ccc12
InChIInChI=1S/C22H15N3O2/c1-14-17-11-12-19(18-13-15-7-5-6-10-20(15)27-22(18)26)23-21(17)25(24-14)16-8-3-2-4-9-16/h2-13H,1H3
InChIKeyXWPLLQMQIVFCDE-UHFFFAOYSA-N
XLogP4.50
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 3-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)chromen-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

3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine
CID 4671441
13-methyl-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one
CID 164668894
3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one
CID 23248661
3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 55148884
3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one
CID 645041
ethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate
CID 23248660
2-(3,5-dimethyl-1,4-diphenylpyrazolo[5,4-b]pyridin-6-yl)benzo[f]chromen-3-one
CID 150484079
3-[4-[4-[2,6-bis(2-oxochromen-3-yl)-4-pyridinyl]phenyl]-6-(2-oxochromen-3-yl)-2-pyridinyl]chromen-2-one
CID 155815853
N,N-dimethyl-3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxamide
CID 2140151
4-methyl-2-(2-oxochromen-3-yl)chromeno[4,3-b]pyridin-5-one
CID 987607
3-(1,2,5-oxadiazol-3-yl)chromen-2-one
CID 141396662
3-phenylchromen-2-one;hydrochloride
CID 141206894

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)chromen-2-one?
The IUPAC name of 3-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)chromen-2-one (CID 56834421) is 3-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)chromen-2-one.
What is the SMILES notation for 3-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)chromen-2-one?
The canonical SMILES for 3-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)chromen-2-one is Cc1nn(-c2ccccc2)c2nc(-c3cc4ccccc4oc3=O)ccc12.
What is the InChIKey of 3-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)chromen-2-one?
The InChIKey is XWPLLQMQIVFCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2/c1-14-17-11-12-19(18-13-15-7-5-6-10-20(15)27-22(18)26)23-21(17)25(24-14)16-8-3-2-4-9-16/h2-13H,1H3.
What are the key properties of 3-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)chromen-2-one?
3-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)chromen-2-one has a molecular weight of 353.38 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)chromen-2-one is sourced from PubChem (CID 56834421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).