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

C24H23N5 — CID 50993786

IUPAC2,9-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline
SMILESCc1ccc2nc(CCc3nc(-c4ccccc4)cn3C)n3nc(C)cc3c2c1
InChIInChI=1S/C24H23N5/c1-16-9-10-20-19(13-16)22-14-17(2)27-29(22)24(25-20)12-11-23-26-21(15-28(23)3)18-7-5-4-6-8-18/h4-10,13-15H,11-12H2,1-3H3
InChIKeyPXIUKGSKVQLIBW-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.69
Rot. Bonds4

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

2,9-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline (PubChem CID 50993786) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2,9-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2,9-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline
PubChem CID50993786
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC Name2,9-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline
SMILESCc1ccc2nc(CCc3nc(-c4ccccc4)cn3C)n3nc(C)cc3c2c1
InChIInChI=1S/C24H23N5/c1-16-9-10-20-19(13-16)22-14-17(2)27-29(22)24(25-20)12-11-23-26-21(15-28(23)3)18-7-5-4-6-8-18/h4-10,13-15H,11-12H2,1-3H3
InChIKeyPXIUKGSKVQLIBW-UHFFFAOYSA-N
XLogP4.69
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline?
The IUPAC name of 2,9-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline (CID 50993786) is 2,9-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 2,9-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline?
The canonical SMILES for 2,9-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline is Cc1ccc2nc(CCc3nc(-c4ccccc4)cn3C)n3nc(C)cc3c2c1.
What is the InChIKey of 2,9-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline?
The InChIKey is PXIUKGSKVQLIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c1-16-9-10-20-19(13-16)22-14-17(2)27-29(22)24(25-20)12-11-23-26-21(15-28(23)3)18-7-5-4-6-8-18/h4-10,13-15H,11-12H2,1-3H3.
What are the key properties of 2,9-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline?
2,9-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline has a molecular weight of 381.48 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 50993786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).