N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide

C24H18FN7OS — CID 146282147

IUPACN-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
SMILESO=C(NC1CC(c2nnc(-c3nccs3)n2-c2ccccc2F)C1)c1ccnc2cccnc12
InChIInChI=1S/C24H18FN7OS/c25-17-4-1-2-6-19(17)32-21(30-31-22(32)24-28-10-11-34-24)14-12-15(13-14)29-23(33)16-7-9-26-18-5-3-8-27-20(16)18/h1-11,14-15H,12-13H2,(H,29,33)
InChIKeyVJGJUSYNOCTGBZ-UHFFFAOYSA-N
MW471.52 g/mol
LogP4.15
Rot. Bonds5

About N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide

N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide (PubChem CID 146282147) has the molecular formula C24H18FN7OS and a molecular weight of 471.52 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
PubChem CID146282147
Molecular FormulaC24H18FN7OS
Molecular Weight471.52 g/mol
Exact Mass471.13
IUPAC NameN-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
SMILESO=C(NC1CC(c2nnc(-c3nccs3)n2-c2ccccc2F)C1)c1ccnc2cccnc12
InChIInChI=1S/C24H18FN7OS/c25-17-4-1-2-6-19(17)32-21(30-31-22(32)24-28-10-11-34-24)14-12-15(13-14)29-23(33)16-7-9-26-18-5-3-8-27-20(16)18/h1-11,14-15H,12-13H2,(H,29,33)
InChIKeyVJGJUSYNOCTGBZ-UHFFFAOYSA-N
XLogP4.15
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide (CID 146282147) is N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide is O=C(NC1CC(c2nnc(-c3nccs3)n2-c2ccccc2F)C1)c1ccnc2cccnc12.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide?
The InChIKey is VJGJUSYNOCTGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN7OS/c25-17-4-1-2-6-19(17)32-21(30-31-22(32)24-28-10-11-34-24)14-12-15(13-14)29-23(33)16-7-9-26-18-5-3-8-27-20(16)18/h1-11,14-15H,12-13H2,(H,29,33).
What are the key properties of N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide?
N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide is sourced from PubChem (CID 146282147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).