(2,5-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(4Z)-4-(1-fluoroethylidene)-5-methylidene-1H-imidazol-2-yl]methanone

C17H19FN4O — CID 177021886

IUPAC(2,5-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(4Z)-4-(1-fluoroethylidene)-5-methylidene-1H-imidazol-2-yl]methanone
SMILESC=c1[nH]c(C(=O)N2CCc3nc(C)ccc3C2C)n/c1=C(/C)F
InChIInChI=1S/C17H19FN4O/c1-9-5-6-13-12(4)22(8-7-14(13)19-9)17(23)16-20-11(3)15(21-16)10(2)18/h5-6,12H,3,7-8H2,1-2,4H3,(H,20,21)/b15-10-
InChIKeyWPEHXOPMEUHFEL-GDNBJRDFSA-N
MW314.36 g/mol
LogP1.38
Rot. Bonds1

About (2,5-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(4Z)-4-(1-fluoroethylidene)-5-methylidene-1H-imidazol-2-yl]methanone

(2,5-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(4Z)-4-(1-fluoroethylidene)-5-methylidene-1H-imidazol-2-yl]methanone (PubChem CID 177021886) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is (2,5-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(4Z)-4-(1-fluoroethylidene)-5-methylidene-1H-imidazol-2-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(4Z)-4-(1-fluoroethylidene)-5-methylidene-1H-imidazol-2-yl]methanone
PubChem CID177021886
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name(2,5-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(4Z)-4-(1-fluoroethylidene)-5-methylidene-1H-imidazol-2-yl]methanone
SMILESC=c1[nH]c(C(=O)N2CCc3nc(C)ccc3C2C)n/c1=C(/C)F
InChIInChI=1S/C17H19FN4O/c1-9-5-6-13-12(4)22(8-7-14(13)19-9)17(23)16-20-11(3)15(21-16)10(2)18/h5-6,12H,3,7-8H2,1-2,4H3,(H,20,21)/b15-10-
InChIKeyWPEHXOPMEUHFEL-GDNBJRDFSA-N
XLogP1.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(4Z)-4-(1-fluoroethylidene)-5-methylidene-1H-imidazol-2-yl]methanone?
The IUPAC name of (2,5-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(4Z)-4-(1-fluoroethylidene)-5-methylidene-1H-imidazol-2-yl]methanone (CID 177021886) is (2,5-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(4Z)-4-(1-fluoroethylidene)-5-methylidene-1H-imidazol-2-yl]methanone.
What is the SMILES notation for (2,5-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(4Z)-4-(1-fluoroethylidene)-5-methylidene-1H-imidazol-2-yl]methanone?
The canonical SMILES for (2,5-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(4Z)-4-(1-fluoroethylidene)-5-methylidene-1H-imidazol-2-yl]methanone is C=c1[nH]c(C(=O)N2CCc3nc(C)ccc3C2C)n/c1=C(/C)F.
What is the InChIKey of (2,5-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(4Z)-4-(1-fluoroethylidene)-5-methylidene-1H-imidazol-2-yl]methanone?
The InChIKey is WPEHXOPMEUHFEL-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-9-5-6-13-12(4)22(8-7-14(13)19-9)17(23)16-20-11(3)15(21-16)10(2)18/h5-6,12H,3,7-8H2,1-2,4H3,(H,20,21)/b15-10-.
What are the key properties of (2,5-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(4Z)-4-(1-fluoroethylidene)-5-methylidene-1H-imidazol-2-yl]methanone?
(2,5-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(4Z)-4-(1-fluoroethylidene)-5-methylidene-1H-imidazol-2-yl]methanone has a molecular weight of 314.36 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(4Z)-4-(1-fluoroethylidene)-5-methylidene-1H-imidazol-2-yl]methanone is sourced from PubChem (CID 177021886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).