2,7-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline

C23H21N5S — CID 53323879

IUPAC2,7-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline
SMILESCc1cc2c3cccc(C)c3nc(CSc3nc(-c4ccccc4)cn3C)n2n1
InChIInChI=1S/C23H21N5S/c1-15-8-7-11-18-20-12-16(2)26-28(20)21(25-22(15)18)14-29-23-24-19(13-27(23)3)17-9-5-4-6-10-17/h4-13H,14H2,1-3H3
InChIKeyJAFSDGHBCYBJIE-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.19
Rot. Bonds4

About 2,7-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline

2,7-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline (PubChem CID 53323879) has the molecular formula C23H21N5S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2,7-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2,7-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline
PubChem CID53323879
Molecular FormulaC23H21N5S
Molecular Weight399.52 g/mol
Exact Mass399.15
IUPAC Name2,7-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline
SMILESCc1cc2c3cccc(C)c3nc(CSc3nc(-c4ccccc4)cn3C)n2n1
InChIInChI=1S/C23H21N5S/c1-15-8-7-11-18-20-12-16(2)26-28(20)21(25-22(15)18)14-29-23-24-19(13-27(23)3)17-9-5-4-6-10-17/h4-13H,14H2,1-3H3
InChIKeyJAFSDGHBCYBJIE-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

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline?
The IUPAC name of 2,7-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline (CID 53323879) is 2,7-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 2,7-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline?
The canonical SMILES for 2,7-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline is Cc1cc2c3cccc(C)c3nc(CSc3nc(-c4ccccc4)cn3C)n2n1.
What is the InChIKey of 2,7-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline?
The InChIKey is JAFSDGHBCYBJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5S/c1-15-8-7-11-18-20-12-16(2)26-28(20)21(25-22(15)18)14-29-23-24-19(13-27(23)3)17-9-5-4-6-10-17/h4-13H,14H2,1-3H3.
What are the key properties of 2,7-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline?
2,7-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 2,7-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 53323879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).