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

C23H21N5OS — CID 53321175

IUPAC7-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline
SMILESCOc1cccc2c1nc(CSc1nc(-c3ccccc3)cn1C)n1nc(C)cc21
InChIInChI=1S/C23H21N5OS/c1-15-12-19-17-10-7-11-20(29-3)22(17)25-21(28(19)26-15)14-30-23-24-18(13-27(23)2)16-8-5-4-6-9-16/h4-13H,14H2,1-3H3
InChIKeyPQMNFEUZEJIITC-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.89
Rot. Bonds5

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

7-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline (PubChem CID 53321175) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is 7-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name7-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline
PubChem CID53321175
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC Name7-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline
SMILESCOc1cccc2c1nc(CSc1nc(-c3ccccc3)cn1C)n1nc(C)cc21
InChIInChI=1S/C23H21N5OS/c1-15-12-19-17-10-7-11-20(29-3)22(17)25-21(28(19)26-15)14-30-23-24-18(13-27(23)2)16-8-5-4-6-9-16/h4-13H,14H2,1-3H3
InChIKeyPQMNFEUZEJIITC-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 7-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline?
The IUPAC name of 7-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline (CID 53321175) is 7-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 7-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline?
The canonical SMILES for 7-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline is COc1cccc2c1nc(CSc1nc(-c3ccccc3)cn1C)n1nc(C)cc21.
What is the InChIKey of 7-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline?
The InChIKey is PQMNFEUZEJIITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c1-15-12-19-17-10-7-11-20(29-3)22(17)25-21(28(19)26-15)14-30-23-24-18(13-27(23)2)16-8-5-4-6-9-16/h4-13H,14H2,1-3H3.
What are the key properties of 7-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline?
7-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 7-methoxy-2-methyl-5-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 53321175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).