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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Related Compounds

6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline
CID 118732961
7-[1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 42611233
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[1-(3,4,5-trifluorophenyl)ethyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 42633502
8-[1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 42633863
7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 42634047
7-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 42634048
3-[3-Methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine
CID 42634049
7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 42634394
5-(fluoromethyl)-7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 42634736
7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methylpyrazolo[3,4-b]pyridine
CID 42634737
5-(difluoromethyl)-7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 42635103
7-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 42635107

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).