3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine

C21H17N5 — CID 70649675

IUPAC3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine
SMILESCc1c(CCc2ccc3cccnc3n2)nc2c3cccnc3ccn12
InChIInChI=1S/C21H17N5/c1-14-18(9-8-16-7-6-15-4-2-12-23-20(15)24-16)25-21-17-5-3-11-22-19(17)10-13-26(14)21/h2-7,10-13H,8-9H2,1H3
InChIKeyJUNFEOPDVXLSPC-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.92
Rot. Bonds3

About 3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine

3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine (PubChem CID 70649675) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine.

Molecular Properties

Compound Name3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine
PubChem CID70649675
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine
SMILESCc1c(CCc2ccc3cccnc3n2)nc2c3cccnc3ccn12
InChIInChI=1S/C21H17N5/c1-14-18(9-8-16-7-6-15-4-2-12-23-20(15)24-16)25-21-17-5-3-11-22-19(17)10-13-26(14)21/h2-7,10-13H,8-9H2,1H3
InChIKeyJUNFEOPDVXLSPC-UHFFFAOYSA-N
XLogP3.92
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine?
The IUPAC name of 3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine (CID 70649675) is 3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine.
What is the SMILES notation for 3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine?
The canonical SMILES for 3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine is Cc1c(CCc2ccc3cccnc3n2)nc2c3cccnc3ccn12.
What is the InChIKey of 3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine?
The InChIKey is JUNFEOPDVXLSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c1-14-18(9-8-16-7-6-15-4-2-12-23-20(15)24-16)25-21-17-5-3-11-22-19(17)10-13-26(14)21/h2-7,10-13H,8-9H2,1H3.
What are the key properties of 3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine?
3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine has a molecular weight of 339.40 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine is sourced from PubChem (CID 70649675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).