(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylphenyl)methanone

C20H18N4O — CID 1477633

IUPAC(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)n2nc(-n3cccc3)c3c(C)cc(C)nc32)cc1
InChIInChI=1S/C20H18N4O/c1-13-6-8-16(9-7-13)20(25)24-18-17(14(2)12-15(3)21-18)19(22-24)23-10-4-5-11-23/h4-12H,1-3H3
InChIKeyMPJFPMGTIBHLQS-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.84
Rot. Bonds2

About (4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylphenyl)methanone

(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylphenyl)methanone (PubChem CID 1477633) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is (4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylphenyl)methanone
PubChem CID1477633
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)n2nc(-n3cccc3)c3c(C)cc(C)nc32)cc1
InChIInChI=1S/C20H18N4O/c1-13-6-8-16(9-7-13)20(25)24-18-17(14(2)12-15(3)21-18)19(22-24)23-10-4-5-11-23/h4-12H,1-3H3
InChIKeyMPJFPMGTIBHLQS-UHFFFAOYSA-N
XLogP3.84
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylphenyl)methanone 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 (4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylphenyl)methanone?
The IUPAC name of (4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylphenyl)methanone (CID 1477633) is (4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)n2nc(-n3cccc3)c3c(C)cc(C)nc32)cc1.
What is the InChIKey of (4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylphenyl)methanone?
The InChIKey is MPJFPMGTIBHLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-13-6-8-16(9-7-13)20(25)24-18-17(14(2)12-15(3)21-18)19(22-24)23-10-4-5-11-23/h4-12H,1-3H3.
What are the key properties of (4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylphenyl)methanone?
(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylphenyl)methanone has a molecular weight of 330.39 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 1477633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).