N-[3-(difluoromethyl)-5-methyl-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

C18H17F6N7O4 — CID 154642126

IUPACN-[3-(difluoromethyl)-5-methyl-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(C(F)F)n[nH]c3C)cc2F)c1=O
InChIInChI=1S/C18H17F6N7O4/c1-3-30-10(5-32)29-31(17(30)34)14-9(19)4-8(16(26-14)35-6-18(22,23)24)15(33)25-11-7(2)27-28-12(11)13(20)21/h4,13,32H,3,5-6H2,1-2H3,(H,25,33)(H,27,28)
InChIKeyCXQJXJFWPQEUQB-UHFFFAOYSA-N
MW509.37 g/mol
LogP2.24
Rot. Bonds8

About N-[3-(difluoromethyl)-5-methyl-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-(difluoromethyl)-5-methyl-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 154642126) has the molecular formula C18H17F6N7O4 and a molecular weight of 509.37 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-5-methyl-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-(difluoromethyl)-5-methyl-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 CID154642126
Molecular FormulaC18H17F6N7O4
Molecular Weight509.37 g/mol
Exact Mass509.12
IUPAC NameN-[3-(difluoromethyl)-5-methyl-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(C(F)F)n[nH]c3C)cc2F)c1=O
InChIInChI=1S/C18H17F6N7O4/c1-3-30-10(5-32)29-31(17(30)34)14-9(19)4-8(16(26-14)35-6-18(22,23)24)15(33)25-11-7(2)27-28-12(11)13(20)21/h4,13,32H,3,5-6H2,1-2H3,(H,25,33)(H,27,28)
InChIKeyCXQJXJFWPQEUQB-UHFFFAOYSA-N
XLogP2.24
TPSA139.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.37
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[3-(difluoromethyl)-5-methyl-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

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Related Compounds

N-(2-chloro-6-methoxy-4-methyl-3-pyridinyl)-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 154642229
6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(2-methoxy-3,5-dimethylpyridin-4-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 154642281
6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(2-methoxy-5-methylpyridin-4-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 154642116
CID 154642163
CID 154642163
N-(2-chloro-6-methyl-3-pyridinyl)-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 154642176
6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(2-fluoro-4-methyl-3-pyridinyl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 154642333
N-[2-(difluoromethyl)-4-methyl-3-pyridinyl]-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 154642343
6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(2-fluoro-5-methylphenyl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 154642090
6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-methyl-1,2-oxazol-4-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 154642091
N-(3-ethyl-5-fluoro-4-pyridinyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 154642092
6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazolidin-1-yl]-5-fluoro-N-(3-methoxypyridazin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 154642096
6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 154642097

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-5-methyl-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-(difluoromethyl)-5-methyl-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 154642126) is N-[3-(difluoromethyl)-5-methyl-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-(difluoromethyl)-5-methyl-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-(difluoromethyl)-5-methyl-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(C(F)F)n[nH]c3C)cc2F)c1=O.
What is the InChIKey of N-[3-(difluoromethyl)-5-methyl-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 CXQJXJFWPQEUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F6N7O4/c1-3-30-10(5-32)29-31(17(30)34)14-9(19)4-8(16(26-14)35-6-18(22,23)24)15(33)25-11-7(2)27-28-12(11)13(20)21/h4,13,32H,3,5-6H2,1-2H3,(H,25,33)(H,27,28).
What are the key properties of N-[3-(difluoromethyl)-5-methyl-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-(difluoromethyl)-5-methyl-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 509.37 g/mol, XLogP of 2.24, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-5-methyl-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 154642126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).