N-(3,5-dichloro-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C16H13Cl2F4N7O4 — CID 154642185

IUPACN-(3,5-dichloro-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCn1c(CO)nn(-c2nc(OCC(F)(F)F)c(C(=O)Nc3c(Cl)n[nH]c3Cl)cc2F)c1=O
InChIInChI=1S/C16H13Cl2F4N7O4/c1-2-28-8(4-30)27-29(15(28)32)12-7(19)3-6(14(24-12)33-5-16(20,21)22)13(31)23-9-10(17)25-26-11(9)18/h3,30H,2,4-5H2,1H3,(H,23,31)(H,25,26)
InChIKeyPQQCLSZBCRQOSC-UHFFFAOYSA-N
MW514.22 g/mol
LogP2.30
Rot. Bonds7

About N-(3,5-dichloro-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(3,5-dichloro-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 154642185) has the molecular formula C16H13Cl2F4N7O4 and a molecular weight of 514.22 g/mol. Its IUPAC name is N-(3,5-dichloro-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID154642185
Molecular FormulaC16H13Cl2F4N7O4
Molecular Weight514.22 g/mol
Exact Mass513.03
IUPAC NameN-(3,5-dichloro-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCn1c(CO)nn(-c2nc(OCC(F)(F)F)c(C(=O)Nc3c(Cl)n[nH]c3Cl)cc2F)c1=O
InChIInChI=1S/C16H13Cl2F4N7O4/c1-2-28-8(4-30)27-29(15(28)32)12-7(19)3-6(14(24-12)33-5-16(20,21)22)13(31)23-9-10(17)25-26-11(9)18/h3,30H,2,4-5H2,1H3,(H,23,31)(H,25,26)
InChIKeyPQQCLSZBCRQOSC-UHFFFAOYSA-N
XLogP2.30
TPSA139.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.22
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-(3,5-dichloro-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(3,5-dichloro-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 154642185) is N-(3,5-dichloro-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dichloro-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CCn1c(CO)nn(-c2nc(OCC(F)(F)F)c(C(=O)Nc3c(Cl)n[nH]c3Cl)cc2F)c1=O.
What is the InChIKey of N-(3,5-dichloro-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is PQQCLSZBCRQOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F4N7O4/c1-2-28-8(4-30)27-29(15(28)32)12-7(19)3-6(14(24-12)33-5-16(20,21)22)13(31)23-9-10(17)25-26-11(9)18/h3,30H,2,4-5H2,1H3,(H,23,31)(H,25,26).
What are the key properties of N-(3,5-dichloro-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(3,5-dichloro-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 514.22 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 154642185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).