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

C24H23N5O — CID 53323881

IUPAC9-methoxy-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline
SMILESCOc1ccc2nc(CCc3nc(-c4ccccc4)cn3C)n3nc(C)cc3c2c1
InChIInChI=1S/C24H23N5O/c1-16-13-22-19-14-18(30-3)9-10-20(19)25-24(29(22)27-16)12-11-23-26-21(15-28(23)2)17-7-5-4-6-8-17/h4-10,13-15H,11-12H2,1-3H3
InChIKeyXCMHDRJYRTUVNO-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.39
Rot. Bonds5

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

9-methoxy-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline (PubChem CID 53323881) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 9-methoxy-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name9-methoxy-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline
PubChem CID53323881
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name9-methoxy-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline
SMILESCOc1ccc2nc(CCc3nc(-c4ccccc4)cn3C)n3nc(C)cc3c2c1
InChIInChI=1S/C24H23N5O/c1-16-13-22-19-14-18(30-3)9-10-20(19)25-24(29(22)27-16)12-11-23-26-21(15-28(23)2)17-7-5-4-6-8-17/h4-10,13-15H,11-12H2,1-3H3
InChIKeyXCMHDRJYRTUVNO-UHFFFAOYSA-N
XLogP4.39
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline?
The IUPAC name of 9-methoxy-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline (CID 53323881) is 9-methoxy-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 9-methoxy-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline?
The canonical SMILES for 9-methoxy-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline is COc1ccc2nc(CCc3nc(-c4ccccc4)cn3C)n3nc(C)cc3c2c1.
What is the InChIKey of 9-methoxy-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline?
The InChIKey is XCMHDRJYRTUVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-16-13-22-19-14-18(30-3)9-10-20(19)25-24(29(22)27-16)12-11-23-26-21(15-28(23)2)17-7-5-4-6-8-17/h4-10,13-15H,11-12H2,1-3H3.
What are the key properties of 9-methoxy-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline?
9-methoxy-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline has a molecular weight of 397.48 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 53323881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).