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

C22H19N5 — CID 70116386

IUPAC3-methyl-2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine
SMILESCc1cnc2nc(CCc3nc4c5cccnc5ccn4c3C)ccc2c1
InChIInChI=1S/C22H19N5/c1-14-12-16-5-6-17(25-21(16)24-13-14)7-8-19-15(2)27-11-9-20-18(22(27)26-19)4-3-10-23-20/h3-6,9-13H,7-8H2,1-2H3
InChIKeyKWUZTHMVHVZYFD-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.23
Rot. Bonds3

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

3-methyl-2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine (PubChem CID 70116386) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-methyl-2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine.

Molecular Properties

Compound Name3-methyl-2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine
PubChem CID70116386
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC Name3-methyl-2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine
SMILESCc1cnc2nc(CCc3nc4c5cccnc5ccn4c3C)ccc2c1
InChIInChI=1S/C22H19N5/c1-14-12-16-5-6-17(25-21(16)24-13-14)7-8-19-15(2)27-11-9-20-18(22(27)26-19)4-3-10-23-20/h3-6,9-13H,7-8H2,1-2H3
InChIKeyKWUZTHMVHVZYFD-UHFFFAOYSA-N
XLogP4.23
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.23
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-(6-methyl-1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine?
The IUPAC name of 3-methyl-2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine (CID 70116386) is 3-methyl-2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine.
What is the SMILES notation for 3-methyl-2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine?
The canonical SMILES for 3-methyl-2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine is Cc1cnc2nc(CCc3nc4c5cccnc5ccn4c3C)ccc2c1.
What is the InChIKey of 3-methyl-2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine?
The InChIKey is KWUZTHMVHVZYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-14-12-16-5-6-17(25-21(16)24-13-14)7-8-19-15(2)27-11-9-20-18(22(27)26-19)4-3-10-23-20/h3-6,9-13H,7-8H2,1-2H3.
What are the key properties of 3-methyl-2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine?
3-methyl-2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine has a molecular weight of 353.43 g/mol, XLogP of 4.23, 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-(6-methyl-1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine is sourced from PubChem (CID 70116386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).