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

C19H18FN5O2 — CID 58992954

IUPACmethyl 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylate
SMILESCOC(=O)c1c(C(C)C)nc2c(c1-c1ccc(F)cc1)CCn1nnnc1-2
InChIInChI=1S/C19H18FN5O2/c1-10(2)16-15(19(26)27-3)14(11-4-6-12(20)7-5-11)13-8-9-25-18(17(13)21-16)22-23-24-25/h4-7,10H,8-9H2,1-3H3
InChIKeyZMUDBFAAMVNHPW-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.01
Rot. Bonds3

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

methyl 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylate (PubChem CID 58992954) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is methyl 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylate
PubChem CID58992954
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Namemethyl 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylate
SMILESCOC(=O)c1c(C(C)C)nc2c(c1-c1ccc(F)cc1)CCn1nnnc1-2
InChIInChI=1S/C19H18FN5O2/c1-10(2)16-15(19(26)27-3)14(11-4-6-12(20)7-5-11)13-8-9-25-18(17(13)21-16)22-23-24-25/h4-7,10H,8-9H2,1-3H3
InChIKeyZMUDBFAAMVNHPW-UHFFFAOYSA-N
XLogP3.01
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylate?
The IUPAC name of methyl 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylate (CID 58992954) is methyl 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylate.
What is the SMILES notation for methyl 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylate?
The canonical SMILES for methyl 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylate is COC(=O)c1c(C(C)C)nc2c(c1-c1ccc(F)cc1)CCn1nnnc1-2.
What is the InChIKey of methyl 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylate?
The InChIKey is ZMUDBFAAMVNHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-10(2)16-15(19(26)27-3)14(11-4-6-12(20)7-5-11)13-8-9-25-18(17(13)21-16)22-23-24-25/h4-7,10H,8-9H2,1-3H3.
What are the key properties of methyl 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylate?
methyl 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylate has a molecular weight of 367.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(4-fluorophenyl)-9-propan-2-yl-5,6-dihydrotetrazolo[1,5-h][1,7]naphthyridine-8-carboxylate is sourced from PubChem (CID 58992954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).