2,9-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline

C23H21N5S — CID 53317312

IUPAC2,9-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline
SMILESCc1ccc2nc(CSc3nc(-c4ccccc4)cn3C)n3nc(C)cc3c2c1
InChIInChI=1S/C23H21N5S/c1-15-9-10-19-18(11-15)21-12-16(2)26-28(21)22(24-19)14-29-23-25-20(13-27(23)3)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3
InChIKeyOIMQPJMOLJDPEE-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.19
Rot. Bonds4

About 2,9-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline

2,9-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline (PubChem CID 53317312) has the molecular formula C23H21N5S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2,9-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2,9-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline
PubChem CID53317312
Molecular FormulaC23H21N5S
Molecular Weight399.52 g/mol
Exact Mass399.15
IUPAC Name2,9-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline
SMILESCc1ccc2nc(CSc3nc(-c4ccccc4)cn3C)n3nc(C)cc3c2c1
InChIInChI=1S/C23H21N5S/c1-15-9-10-19-18(11-15)21-12-16(2)26-28(21)22(24-19)14-29-23-25-20(13-27(23)3)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3
InChIKeyOIMQPJMOLJDPEE-UHFFFAOYSA-N
XLogP5.19
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,9-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline with MolForge

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Related Compounds

PF-04254644
CID 24871823
8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
CID 2988303
6-((6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)methyl)quinoline
CID 44206063
(R)-2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11538251
(R)-2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11581252
(R)-6-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2,3-dihydroimidazo[2,1-b]thiazole
CID 11653478
6-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24851730
6-[Difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 57338725
3-(6-Quinolylmethyl)-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57405871
3-(6-Quinolylmethyl)-6-[(1-methyl)-4-pyrazolyl][1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57405875
6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 59341847
6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline
CID 71666369

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline?
The IUPAC name of 2,9-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline (CID 53317312) is 2,9-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 2,9-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline?
The canonical SMILES for 2,9-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline is Cc1ccc2nc(CSc3nc(-c4ccccc4)cn3C)n3nc(C)cc3c2c1.
What is the InChIKey of 2,9-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline?
The InChIKey is OIMQPJMOLJDPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5S/c1-15-9-10-19-18(11-15)21-12-16(2)26-28(21)22(24-19)14-29-23-25-20(13-27(23)3)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3.
What are the key properties of 2,9-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline?
2,9-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline has a molecular weight of 399.52 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 53317312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).