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

C46H41ClN10 — CID 66666155

IUPAC9-chloro-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline;2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline
SMILESCc1cc2c3cc(Cl)ccc3nc(CCc3nc(-c4ccccc4)cn3C)n2n1.Cc1cc2c3ccccc3nc(CCc3nc(-c4ccccc4)cn3C)n2n1
InChIInChI=1S/C23H20ClN5.C23H21N5/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;1-16-14-21-18-10-6-7-11-19(18)24-23(28(21)26-16)13-12-22-25-20(15-27(22)2)17-8-4-3-5-9-17/h3-9,12-14H,10-11H2,1-2H3;3-11,14-15H,12-13H2,1-2H3
InChIKeyGOAJLVHJNLAYHC-UHFFFAOYSA-N
MW769.36 g/mol
LogP9.41
Rot. Bonds8

About 9-chloro-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline;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;2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline (PubChem CID 66666155) has the molecular formula C46H41ClN10 and a molecular weight of 769.36 g/mol. Its IUPAC name is 9-chloro-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline;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;2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline
PubChem CID66666155
Molecular FormulaC46H41ClN10
Molecular Weight769.36 g/mol
Exact Mass768.32
IUPAC Name9-chloro-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline;2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline
SMILESCc1cc2c3cc(Cl)ccc3nc(CCc3nc(-c4ccccc4)cn3C)n2n1.Cc1cc2c3ccccc3nc(CCc3nc(-c4ccccc4)cn3C)n2n1
InChIInChI=1S/C23H20ClN5.C23H21N5/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;1-16-14-21-18-10-6-7-11-19(18)24-23(28(21)26-16)13-12-22-25-20(15-27(22)2)17-8-4-3-5-9-17/h3-9,12-14H,10-11H2,1-2H3;3-11,14-15H,12-13H2,1-2H3
InChIKeyGOAJLVHJNLAYHC-UHFFFAOYSA-N
XLogP9.41
TPSA96.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.36
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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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;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;2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline (CID 66666155) is 9-chloro-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline;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;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;2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline is Cc1cc2c3cc(Cl)ccc3nc(CCc3nc(-c4ccccc4)cn3C)n2n1.Cc1cc2c3ccccc3nc(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;2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline?
The InChIKey is GOAJLVHJNLAYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5.C23H21N5/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;1-16-14-21-18-10-6-7-11-19(18)24-23(28(21)26-16)13-12-22-25-20(15-27(22)2)17-8-4-3-5-9-17/h3-9,12-14H,10-11H2,1-2H3;3-11,14-15H,12-13H2,1-2H3.
What are the key properties of 9-chloro-2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline;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;2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline has a molecular weight of 769.36 g/mol, XLogP of 9.41, 8 rotatable bonds, 0 hydrogen bond donors, and 10 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;2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 66666155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).