7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylic acid

C18H16FN5O2 — CID 58992996

IUPAC7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylic acid
SMILESCC(C)c1nc2c(c(-c3ccc(F)cc3)c1C(=O)O)CCn1nnnc1-2
InChIInChI=1S/C18H16FN5O2/c1-9(2)15-14(18(25)26)13(10-3-5-11(19)6-4-10)12-7-8-24-17(16(12)20-15)21-22-23-24/h3-6,9H,7-8H2,1-2H3,(H,25,26)
InChIKeyMWBFKKFMHYBAIH-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.92
Rot. Bonds3

About 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylic acid

7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylic acid (PubChem CID 58992996) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylic acid
PubChem CID58992996
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylic acid
SMILESCC(C)c1nc2c(c(-c3ccc(F)cc3)c1C(=O)O)CCn1nnnc1-2
InChIInChI=1S/C18H16FN5O2/c1-9(2)15-14(18(25)26)13(10-3-5-11(19)6-4-10)12-7-8-24-17(16(12)20-15)21-22-23-24/h3-6,9H,7-8H2,1-2H3,(H,25,26)
InChIKeyMWBFKKFMHYBAIH-UHFFFAOYSA-N
XLogP2.92
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylic acid?
The IUPAC name of 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylic acid (CID 58992996) is 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylic acid?
The canonical SMILES for 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylic acid is CC(C)c1nc2c(c(-c3ccc(F)cc3)c1C(=O)O)CCn1nnnc1-2.
What is the InChIKey of 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylic acid?
The InChIKey is MWBFKKFMHYBAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-9(2)15-14(18(25)26)13(10-3-5-11(19)6-4-10)12-7-8-24-17(16(12)20-15)21-22-23-24/h3-6,9H,7-8H2,1-2H3,(H,25,26).
What are the key properties of 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylic acid?
7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylic acid has a molecular weight of 353.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 58992996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).