4-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1-methylpyrrolidin-2-one

C24H25FN6O3 — CID 146469044

IUPAC4-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1-methylpyrrolidin-2-one
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)C1CC(=O)N(C)C1)C2
InChIInChI=1S/C24H25FN6O3/c1-15-21(31(28-27-15)19-6-4-18(25)5-7-19)14-34-22-8-3-16-13-30(10-9-20(16)26-22)24(33)17-11-23(32)29(2)12-17/h3-8,17H,9-14H2,1-2H3
InChIKeyCEPWICKCWXPROW-UHFFFAOYSA-N
MW464.50 g/mol
LogP2.05
Rot. Bonds5

About 4-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1-methylpyrrolidin-2-one

4-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 146469044) has the molecular formula C24H25FN6O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is 4-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID146469044
Molecular FormulaC24H25FN6O3
Molecular Weight464.50 g/mol
Exact Mass464.20
IUPAC Name4-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1-methylpyrrolidin-2-one
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)C1CC(=O)N(C)C1)C2
InChIInChI=1S/C24H25FN6O3/c1-15-21(31(28-27-15)19-6-4-18(25)5-7-19)14-34-22-8-3-16-13-30(10-9-20(16)26-22)24(33)17-11-23(32)29(2)12-17/h3-8,17H,9-14H2,1-2H3
InChIKeyCEPWICKCWXPROW-UHFFFAOYSA-N
XLogP2.05
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1-methylpyrrolidin-2-one (CID 146469044) is 4-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1-methylpyrrolidin-2-one is Cc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)C1CC(=O)N(C)C1)C2.
What is the InChIKey of 4-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is CEPWICKCWXPROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O3/c1-15-21(31(28-27-15)19-6-4-18(25)5-7-19)14-34-22-8-3-16-13-30(10-9-20(16)26-22)24(33)17-11-23(32)29(2)12-17/h3-8,17H,9-14H2,1-2H3.
What are the key properties of 4-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1-methylpyrrolidin-2-one?
4-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 464.50 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 146469044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).