9-methyl-6-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,7]naphthyridine

C21H19N5 — CID 118708358

IUPAC9-methyl-6-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,7]naphthyridine
SMILESCc1cc2c3cnccc3cc(CCc3nc4ccccc4n3C)n2n1
InChIInChI=1S/C21H19N5/c1-14-11-20-17-13-22-10-9-15(17)12-16(26(20)24-14)7-8-21-23-18-5-3-4-6-19(18)25(21)2/h3-6,9-13H,7-8H2,1-2H3
InChIKeyPIJWWJLVISVNPQ-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.86
Rot. Bonds3

About 9-methyl-6-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,7]naphthyridine

9-methyl-6-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,7]naphthyridine (PubChem CID 118708358) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 9-methyl-6-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,7]naphthyridine.

Molecular Properties

Compound Name9-methyl-6-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,7]naphthyridine
PubChem CID118708358
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name9-methyl-6-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,7]naphthyridine
SMILESCc1cc2c3cnccc3cc(CCc3nc4ccccc4n3C)n2n1
InChIInChI=1S/C21H19N5/c1-14-11-20-17-13-22-10-9-15(17)12-16(26(20)24-14)7-8-21-23-18-5-3-4-6-19(18)25(21)2/h3-6,9-13H,7-8H2,1-2H3
InChIKeyPIJWWJLVISVNPQ-UHFFFAOYSA-N
XLogP3.86
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,7]naphthyridine?
The IUPAC name of 9-methyl-6-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,7]naphthyridine (CID 118708358) is 9-methyl-6-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,7]naphthyridine.
What is the SMILES notation for 9-methyl-6-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,7]naphthyridine?
The canonical SMILES for 9-methyl-6-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,7]naphthyridine is Cc1cc2c3cnccc3cc(CCc3nc4ccccc4n3C)n2n1.
What is the InChIKey of 9-methyl-6-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,7]naphthyridine?
The InChIKey is PIJWWJLVISVNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-14-11-20-17-13-22-10-9-15(17)12-16(26(20)24-14)7-8-21-23-18-5-3-4-6-19(18)25(21)2/h3-6,9-13H,7-8H2,1-2H3.
What are the key properties of 9-methyl-6-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,7]naphthyridine?
9-methyl-6-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,7]naphthyridine has a molecular weight of 341.42 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,7]naphthyridine is sourced from PubChem (CID 118708358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).