2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline

C24H22N4 — CID 118708359

IUPAC2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline
SMILESCc1cc2c3ccccc3cc(CCc3nc(-c4ccccc4)cn3C)n2n1
InChIInChI=1S/C24H22N4/c1-17-14-23-21-11-7-6-10-19(21)15-20(28(23)26-17)12-13-24-25-22(16-27(24)2)18-8-4-3-5-9-18/h3-11,14-16H,12-13H2,1-2H3
InChIKeyBWAVCWOIDAVRCM-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.98
Rot. Bonds4

About 2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline

2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline (PubChem CID 118708359) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline
PubChem CID118708359
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline
SMILESCc1cc2c3ccccc3cc(CCc3nc(-c4ccccc4)cn3C)n2n1
InChIInChI=1S/C24H22N4/c1-17-14-23-21-11-7-6-10-19(21)15-20(28(23)26-17)12-13-24-25-22(16-27(24)2)18-8-4-3-5-9-18/h3-11,14-16H,12-13H2,1-2H3
InChIKeyBWAVCWOIDAVRCM-UHFFFAOYSA-N
XLogP4.98
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline?
The IUPAC name of 2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline (CID 118708359) is 2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline is Cc1cc2c3ccccc3cc(CCc3nc(-c4ccccc4)cn3C)n2n1.
What is the InChIKey of 2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline?
The InChIKey is BWAVCWOIDAVRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-17-14-23-21-11-7-6-10-19(21)15-20(28(23)26-17)12-13-24-25-22(16-27(24)2)18-8-4-3-5-9-18/h3-11,14-16H,12-13H2,1-2H3.
What are the key properties of 2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline?
2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline has a molecular weight of 366.47 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 118708359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).