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

C23H20ClN5 — CID 53323880

IUPAC9-chloro-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline
SMILESCc1cc2c3cc(Cl)ccc3nc(CCc3nc(-c4ccccc4)cn3C)n2n1
InChIInChI=1S/C23H20ClN5/c1-15-12-21-18-13-17(24)8-9-19(18)25-23(29(21)27-15)11-10-22-26-20(14-28(22)2)16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3
InChIKeyUALLOWFGWAQLRW-UHFFFAOYSA-N
MW401.90 g/mol
LogP5.03
Rot. Bonds4

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

9-chloro-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline (PubChem CID 53323880) has the molecular formula C23H20ClN5 and a molecular weight of 401.90 g/mol. Its IUPAC name is 9-chloro-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name9-chloro-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline
PubChem CID53323880
Molecular FormulaC23H20ClN5
Molecular Weight401.90 g/mol
Exact Mass401.14
IUPAC Name9-chloro-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline
SMILESCc1cc2c3cc(Cl)ccc3nc(CCc3nc(-c4ccccc4)cn3C)n2n1
InChIInChI=1S/C23H20ClN5/c1-15-12-21-18-13-17(24)8-9-19(18)25-23(29(21)27-15)11-10-22-26-20(14-28(22)2)16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3
InChIKeyUALLOWFGWAQLRW-UHFFFAOYSA-N
XLogP5.03
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.90
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline?
The IUPAC name of 9-chloro-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline (CID 53323880) is 9-chloro-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 9-chloro-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline?
The canonical SMILES for 9-chloro-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline is Cc1cc2c3cc(Cl)ccc3nc(CCc3nc(-c4ccccc4)cn3C)n2n1.
What is the InChIKey of 9-chloro-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline?
The InChIKey is UALLOWFGWAQLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5/c1-15-12-21-18-13-17(24)8-9-19(18)25-23(29(21)27-15)11-10-22-26-20(14-28(22)2)16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3.
What are the key properties of 9-chloro-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline?
9-chloro-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline has a molecular weight of 401.90 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 53323880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).