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

C21H19N5 — CID 118708351

IUPAC2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine
SMILESCc1cc2c3cccnc3cc(CCc3nc4ccccc4n3C)n2n1
InChIInChI=1S/C21H19N5/c1-14-12-20-16-6-5-11-22-18(16)13-15(26(20)24-14)9-10-21-23-17-7-3-4-8-19(17)25(21)2/h3-8,11-13H,9-10H2,1-2H3
InChIKeyFRQUJSFXORWQHN-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.86
Rot. Bonds3

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

2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine (PubChem CID 118708351) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine.

Molecular Properties

Compound Name2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine
PubChem CID118708351
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine
SMILESCc1cc2c3cccnc3cc(CCc3nc4ccccc4n3C)n2n1
InChIInChI=1S/C21H19N5/c1-14-12-20-16-6-5-11-22-18(16)13-15(26(20)24-14)9-10-21-23-17-7-3-4-8-19(17)25(21)2/h3-8,11-13H,9-10H2,1-2H3
InChIKeyFRQUJSFXORWQHN-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 2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine?
The IUPAC name of 2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine (CID 118708351) is 2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine.
What is the SMILES notation for 2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine?
The canonical SMILES for 2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine is Cc1cc2c3cccnc3cc(CCc3nc4ccccc4n3C)n2n1.
What is the InChIKey of 2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine?
The InChIKey is FRQUJSFXORWQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-14-12-20-16-6-5-11-22-18(16)13-15(26(20)24-14)9-10-21-23-17-7-3-4-8-19(17)25(21)2/h3-8,11-13H,9-10H2,1-2H3.
What are the key properties of 2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine?
2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]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 2-methyl-5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine is sourced from PubChem (CID 118708351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).