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

C23H21N5OS — CID 53323878

IUPAC8-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline
SMILESCOc1ccc2c(c1)nc(CSc1nc(-c3ccccc3)cn1C)n1nc(C)cc21
InChIInChI=1S/C23H21N5OS/c1-15-11-21-18-10-9-17(29-3)12-19(18)24-22(28(21)26-15)14-30-23-25-20(13-27(23)2)16-7-5-4-6-8-16/h4-13H,14H2,1-3H3
InChIKeyINOKWGGMXVYSMK-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.89
Rot. Bonds5

About 8-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline

8-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline (PubChem CID 53323878) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is 8-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name8-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline
PubChem CID53323878
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC Name8-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline
SMILESCOc1ccc2c(c1)nc(CSc1nc(-c3ccccc3)cn1C)n1nc(C)cc21
InChIInChI=1S/C23H21N5OS/c1-15-11-21-18-10-9-17(29-3)12-19(18)24-22(28(21)26-15)14-30-23-25-20(13-27(23)2)16-7-5-4-6-8-16/h4-13H,14H2,1-3H3
InChIKeyINOKWGGMXVYSMK-UHFFFAOYSA-N
XLogP4.89
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline?
The IUPAC name of 8-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline (CID 53323878) is 8-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 8-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline?
The canonical SMILES for 8-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline is COc1ccc2c(c1)nc(CSc1nc(-c3ccccc3)cn1C)n1nc(C)cc21.
What is the InChIKey of 8-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline?
The InChIKey is INOKWGGMXVYSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c1-15-11-21-18-10-9-17(29-3)12-19(18)24-22(28(21)26-15)14-30-23-25-20(13-27(23)2)16-7-5-4-6-8-16/h4-13H,14H2,1-3H3.
What are the key properties of 8-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline?
8-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline has a molecular weight of 415.52 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 53323878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).