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

C21H16FN5 — CID 70115623

IUPAC2-[2-(6-fluoro-1,8-naphthyridin-2-yl)ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine
SMILESCc1c(CCc2ccc3cc(F)cnc3n2)nc2c3cccnc3ccn12
InChIInChI=1S/C21H16FN5/c1-13-18(26-21-17-3-2-9-23-19(17)8-10-27(13)21)7-6-16-5-4-14-11-15(22)12-24-20(14)25-16/h2-5,8-12H,6-7H2,1H3
InChIKeyNNUCILHUXUSMJP-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.06
Rot. Bonds3

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

2-[2-(6-fluoro-1,8-naphthyridin-2-yl)ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine (PubChem CID 70115623) has the molecular formula C21H16FN5 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[2-(6-fluoro-1,8-naphthyridin-2-yl)ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine.

Molecular Properties

Compound Name2-[2-(6-fluoro-1,8-naphthyridin-2-yl)ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine
PubChem CID70115623
Molecular FormulaC21H16FN5
Molecular Weight357.39 g/mol
Exact Mass357.14
IUPAC Name2-[2-(6-fluoro-1,8-naphthyridin-2-yl)ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine
SMILESCc1c(CCc2ccc3cc(F)cnc3n2)nc2c3cccnc3ccn12
InChIInChI=1S/C21H16FN5/c1-13-18(26-21-17-3-2-9-23-19(17)8-10-27(13)21)7-6-16-5-4-14-11-15(22)12-24-20(14)25-16/h2-5,8-12H,6-7H2,1H3
InChIKeyNNUCILHUXUSMJP-UHFFFAOYSA-N
XLogP4.06
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-fluoro-1,8-naphthyridin-2-yl)ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine?
The IUPAC name of 2-[2-(6-fluoro-1,8-naphthyridin-2-yl)ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine (CID 70115623) is 2-[2-(6-fluoro-1,8-naphthyridin-2-yl)ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine.
What is the SMILES notation for 2-[2-(6-fluoro-1,8-naphthyridin-2-yl)ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine?
The canonical SMILES for 2-[2-(6-fluoro-1,8-naphthyridin-2-yl)ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine is Cc1c(CCc2ccc3cc(F)cnc3n2)nc2c3cccnc3ccn12.
What is the InChIKey of 2-[2-(6-fluoro-1,8-naphthyridin-2-yl)ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine?
The InChIKey is NNUCILHUXUSMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5/c1-13-18(26-21-17-3-2-9-23-19(17)8-10-27(13)21)7-6-16-5-4-14-11-15(22)12-24-20(14)25-16/h2-5,8-12H,6-7H2,1H3.
What are the key properties of 2-[2-(6-fluoro-1,8-naphthyridin-2-yl)ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine?
2-[2-(6-fluoro-1,8-naphthyridin-2-yl)ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine has a molecular weight of 357.39 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-fluoro-1,8-naphthyridin-2-yl)ethyl]-3-methylimidazo[2,1-f][1,6]naphthyridine is sourced from PubChem (CID 70115623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).