N-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide

C18H15ClF7N7O4 — CID 154642165

IUPACN-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
SMILESCCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(Cl)n[nH]c3C(F)(F)F)cc2F)c1=O
InChIInChI=1S/C18H15ClF7N7O4/c1-3-32-9(5-34)31-33(16(32)36)13-8(20)4-7(15(28-13)37-6(2)17(21,22)23)14(35)27-10-11(18(24,25)26)29-30-12(10)19/h4,6,34H,3,5H2,1-2H3,(H,27,35)(H,29,30)/t6-/m0/s1
InChIKeyMQEQOJWRMXWTRF-LURJTMIESA-N
MW561.80 g/mol
LogP3.06
Rot. Bonds7

About N-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide

N-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide (PubChem CID 154642165) has the molecular formula C18H15ClF7N7O4 and a molecular weight of 561.80 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
PubChem CID154642165
Molecular FormulaC18H15ClF7N7O4
Molecular Weight561.80 g/mol
Exact Mass561.08
IUPAC NameN-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
SMILESCCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(Cl)n[nH]c3C(F)(F)F)cc2F)c1=O
InChIInChI=1S/C18H15ClF7N7O4/c1-3-32-9(5-34)31-33(16(32)36)13-8(20)4-7(15(28-13)37-6(2)17(21,22)23)14(35)27-10-11(18(24,25)26)29-30-12(10)19/h4,6,34H,3,5H2,1-2H3,(H,27,35)(H,29,30)/t6-/m0/s1
InChIKeyMQEQOJWRMXWTRF-LURJTMIESA-N
XLogP3.06
TPSA139.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.80
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-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-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide (CID 154642165) is N-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide is CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(Cl)n[nH]c3C(F)(F)F)cc2F)c1=O.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide?
The InChIKey is MQEQOJWRMXWTRF-LURJTMIESA-N. The full InChI is InChI=1S/C18H15ClF7N7O4/c1-3-32-9(5-34)31-33(16(32)36)13-8(20)4-7(15(28-13)37-6(2)17(21,22)23)14(35)27-10-11(18(24,25)26)29-30-12(10)19/h4,6,34H,3,5H2,1-2H3,(H,27,35)(H,29,30)/t6-/m0/s1.
What are the key properties of N-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide?
N-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide has a molecular weight of 561.80 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 154642165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).