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

C23H25FN6O3 — CID 146469034

IUPAC2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxolan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)NC1CCOC1)C2
InChIInChI=1S/C23H25FN6O3/c1-15-21(30(28-27-15)19-5-3-17(24)4-6-19)14-33-22-7-2-16-12-29(10-8-20(16)26-22)23(31)25-18-9-11-32-13-18/h2-7,18H,8-14H2,1H3,(H,25,31)
InChIKeyBFBQNXDBCFYSQA-UHFFFAOYSA-N
MW452.49 g/mol
LogP2.55
Rot. Bonds5

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

2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxolan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (PubChem CID 146469034) has the molecular formula C23H25FN6O3 and a molecular weight of 452.49 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxolan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxolan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
PubChem CID146469034
Molecular FormulaC23H25FN6O3
Molecular Weight452.49 g/mol
Exact Mass452.20
IUPAC Name2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxolan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)NC1CCOC1)C2
InChIInChI=1S/C23H25FN6O3/c1-15-21(30(28-27-15)19-5-3-17(24)4-6-19)14-33-22-7-2-16-12-29(10-8-20(16)26-22)23(31)25-18-9-11-32-13-18/h2-7,18H,8-14H2,1H3,(H,25,31)
InChIKeyBFBQNXDBCFYSQA-UHFFFAOYSA-N
XLogP2.55
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.55
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-(oxolan-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-(oxolan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (CID 146469034) is 2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxolan-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-(oxolan-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-(oxolan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is Cc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)NC1CCOC1)C2.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxolan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The InChIKey is BFBQNXDBCFYSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O3/c1-15-21(30(28-27-15)19-5-3-17(24)4-6-19)14-33-22-7-2-16-12-29(10-8-20(16)26-22)23(31)25-18-9-11-32-13-18/h2-7,18H,8-14H2,1H3,(H,25,31).
What are the key properties of 2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxolan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxolan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 2.55, 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-(oxolan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 146469034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).