2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(1-methyl-5-oxopyrrolidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

C24H26FN7O3 — CID 146468986

IUPAC2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(1-methyl-5-oxopyrrolidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)NC1CC(=O)N(C)C1)C2
InChIInChI=1S/C24H26FN7O3/c1-15-21(32(29-28-15)19-6-4-17(25)5-7-19)14-35-22-8-3-16-12-31(10-9-20(16)27-22)24(34)26-18-11-23(33)30(2)13-18/h3-8,18H,9-14H2,1-2H3,(H,26,34)
InChIKeyOHPFIURCPBDDFH-UHFFFAOYSA-N
MW479.52 g/mol
LogP1.99
Rot. Bonds5

About 2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(1-methyl-5-oxopyrrolidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(1-methyl-5-oxopyrrolidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (PubChem CID 146468986) has the molecular formula C24H26FN7O3 and a molecular weight of 479.52 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(1-methyl-5-oxopyrrolidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(1-methyl-5-oxopyrrolidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
PubChem CID146468986
Molecular FormulaC24H26FN7O3
Molecular Weight479.52 g/mol
Exact Mass479.21
IUPAC Name2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(1-methyl-5-oxopyrrolidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)NC1CC(=O)N(C)C1)C2
InChIInChI=1S/C24H26FN7O3/c1-15-21(32(29-28-15)19-6-4-17(25)5-7-19)14-35-22-8-3-16-12-31(10-9-20(16)27-22)24(34)26-18-11-23(33)30(2)13-18/h3-8,18H,9-14H2,1-2H3,(H,26,34)
InChIKeyOHPFIURCPBDDFH-UHFFFAOYSA-N
XLogP1.99
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(1-methyl-5-oxopyrrolidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The IUPAC name of 2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(1-methyl-5-oxopyrrolidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (CID 146468986) is 2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(1-methyl-5-oxopyrrolidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(1-methyl-5-oxopyrrolidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(1-methyl-5-oxopyrrolidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is Cc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)NC1CC(=O)N(C)C1)C2.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(1-methyl-5-oxopyrrolidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The InChIKey is OHPFIURCPBDDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O3/c1-15-21(32(29-28-15)19-6-4-17(25)5-7-19)14-35-22-8-3-16-12-31(10-9-20(16)27-22)24(34)26-18-11-23(33)30(2)13-18/h3-8,18H,9-14H2,1-2H3,(H,26,34).
What are the key properties of 2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(1-methyl-5-oxopyrrolidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(1-methyl-5-oxopyrrolidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide has a molecular weight of 479.52 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(1-methyl-5-oxopyrrolidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 146468986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).