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

C22H16F3N5 — CID 70649343

IUPAC3-methyl-2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]imidazo[2,1-f][1,6]naphthyridine
SMILESCc1c(CCc2ccc3cc(C(F)(F)F)cnc3n2)nc2c3cccnc3ccn12
InChIInChI=1S/C22H16F3N5/c1-13-18(29-21-17-3-2-9-26-19(17)8-10-30(13)21)7-6-16-5-4-14-11-15(22(23,24)25)12-27-20(14)28-16/h2-5,8-12H,6-7H2,1H3
InChIKeyGVNMSTFJWPVJID-UHFFFAOYSA-N
MW407.40 g/mol
LogP4.94
Rot. Bonds3

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

3-methyl-2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]imidazo[2,1-f][1,6]naphthyridine (PubChem CID 70649343) has the molecular formula C22H16F3N5 and a molecular weight of 407.40 g/mol. Its IUPAC name is 3-methyl-2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]imidazo[2,1-f][1,6]naphthyridine.

Molecular Properties

Compound Name3-methyl-2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]imidazo[2,1-f][1,6]naphthyridine
PubChem CID70649343
Molecular FormulaC22H16F3N5
Molecular Weight407.40 g/mol
Exact Mass407.14
IUPAC Name3-methyl-2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]imidazo[2,1-f][1,6]naphthyridine
SMILESCc1c(CCc2ccc3cc(C(F)(F)F)cnc3n2)nc2c3cccnc3ccn12
InChIInChI=1S/C22H16F3N5/c1-13-18(29-21-17-3-2-9-26-19(17)8-10-30(13)21)7-6-16-5-4-14-11-15(22(23,24)25)12-27-20(14)28-16/h2-5,8-12H,6-7H2,1H3
InChIKeyGVNMSTFJWPVJID-UHFFFAOYSA-N
XLogP4.94
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 54.94
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-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]imidazo[2,1-f][1,6]naphthyridine?
The IUPAC name of 3-methyl-2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]imidazo[2,1-f][1,6]naphthyridine (CID 70649343) is 3-methyl-2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]imidazo[2,1-f][1,6]naphthyridine.
What is the SMILES notation for 3-methyl-2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]imidazo[2,1-f][1,6]naphthyridine?
The canonical SMILES for 3-methyl-2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]imidazo[2,1-f][1,6]naphthyridine is Cc1c(CCc2ccc3cc(C(F)(F)F)cnc3n2)nc2c3cccnc3ccn12.
What is the InChIKey of 3-methyl-2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]imidazo[2,1-f][1,6]naphthyridine?
The InChIKey is GVNMSTFJWPVJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5/c1-13-18(29-21-17-3-2-9-26-19(17)8-10-30(13)21)7-6-16-5-4-14-11-15(22(23,24)25)12-27-20(14)28-16/h2-5,8-12H,6-7H2,1H3.
What are the key properties of 3-methyl-2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]imidazo[2,1-f][1,6]naphthyridine?
3-methyl-2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]imidazo[2,1-f][1,6]naphthyridine has a molecular weight of 407.40 g/mol, XLogP of 4.94, 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-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]imidazo[2,1-f][1,6]naphthyridine is sourced from PubChem (CID 70649343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).