7-cyclohexyl-1-methyl-8-(trifluoromethyl)-5H-imidazo[4,5-c][1,7]naphthyridine-4,6-dione

C17H17F3N4O2 — CID 165172414

IUPAC7-cyclohexyl-1-methyl-8-(trifluoromethyl)-5H-imidazo[4,5-c][1,7]naphthyridine-4,6-dione
SMILESCn1cnc2c(=O)[nH]c3c(=O)n(C4CCCCC4)c(C(F)(F)F)cc3c21
InChIInChI=1S/C17H17F3N4O2/c1-23-8-21-13-14(23)10-7-11(17(18,19)20)24(9-5-3-2-4-6-9)16(26)12(10)22-15(13)25/h7-9H,2-6H2,1H3,(H,22,25)
InChIKeyXVNFQILORHKNHZ-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.10
Rot. Bonds1

About 7-cyclohexyl-1-methyl-8-(trifluoromethyl)-5H-imidazo[4,5-c][1,7]naphthyridine-4,6-dione

7-cyclohexyl-1-methyl-8-(trifluoromethyl)-5H-imidazo[4,5-c][1,7]naphthyridine-4,6-dione (PubChem CID 165172414) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 7-cyclohexyl-1-methyl-8-(trifluoromethyl)-5H-imidazo[4,5-c][1,7]naphthyridine-4,6-dione.

Molecular Properties

Compound Name7-cyclohexyl-1-methyl-8-(trifluoromethyl)-5H-imidazo[4,5-c][1,7]naphthyridine-4,6-dione
PubChem CID165172414
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name7-cyclohexyl-1-methyl-8-(trifluoromethyl)-5H-imidazo[4,5-c][1,7]naphthyridine-4,6-dione
SMILESCn1cnc2c(=O)[nH]c3c(=O)n(C4CCCCC4)c(C(F)(F)F)cc3c21
InChIInChI=1S/C17H17F3N4O2/c1-23-8-21-13-14(23)10-7-11(17(18,19)20)24(9-5-3-2-4-6-9)16(26)12(10)22-15(13)25/h7-9H,2-6H2,1H3,(H,22,25)
InChIKeyXVNFQILORHKNHZ-UHFFFAOYSA-N
XLogP3.10
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-1-methyl-8-(trifluoromethyl)-5H-imidazo[4,5-c][1,7]naphthyridine-4,6-dione?
The IUPAC name of 7-cyclohexyl-1-methyl-8-(trifluoromethyl)-5H-imidazo[4,5-c][1,7]naphthyridine-4,6-dione (CID 165172414) is 7-cyclohexyl-1-methyl-8-(trifluoromethyl)-5H-imidazo[4,5-c][1,7]naphthyridine-4,6-dione.
What is the SMILES notation for 7-cyclohexyl-1-methyl-8-(trifluoromethyl)-5H-imidazo[4,5-c][1,7]naphthyridine-4,6-dione?
The canonical SMILES for 7-cyclohexyl-1-methyl-8-(trifluoromethyl)-5H-imidazo[4,5-c][1,7]naphthyridine-4,6-dione is Cn1cnc2c(=O)[nH]c3c(=O)n(C4CCCCC4)c(C(F)(F)F)cc3c21.
What is the InChIKey of 7-cyclohexyl-1-methyl-8-(trifluoromethyl)-5H-imidazo[4,5-c][1,7]naphthyridine-4,6-dione?
The InChIKey is XVNFQILORHKNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-23-8-21-13-14(23)10-7-11(17(18,19)20)24(9-5-3-2-4-6-9)16(26)12(10)22-15(13)25/h7-9H,2-6H2,1H3,(H,22,25).
What are the key properties of 7-cyclohexyl-1-methyl-8-(trifluoromethyl)-5H-imidazo[4,5-c][1,7]naphthyridine-4,6-dione?
7-cyclohexyl-1-methyl-8-(trifluoromethyl)-5H-imidazo[4,5-c][1,7]naphthyridine-4,6-dione has a molecular weight of 366.34 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-1-methyl-8-(trifluoromethyl)-5H-imidazo[4,5-c][1,7]naphthyridine-4,6-dione is sourced from PubChem (CID 165172414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).