2-[2-fluoro-4-[2-oxo-2-[[1-(1,2,2-trifluoroethyl)pyrazol-3-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide

C19H15F4N5O3 — CID 175514474

IUPAC2-[2-fluoro-4-[2-oxo-2-[[1-(1,2,2-trifluoroethyl)pyrazol-3-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2ccn(C(F)C(F)F)n2)cc1F
InChIInChI=1S/C19H15F4N5O3/c20-12-8-10(3-4-13(12)31-19-11(18(24)30)2-1-6-25-19)9-15(29)26-14-5-7-28(27-14)17(23)16(21)22/h1-8,16-17H,9H2,(H2,24,30)(H,26,27,29)
InChIKeyJGYKQKRWFPXQSB-UHFFFAOYSA-N
MW437.35 g/mol
LogP3.22
Rot. Bonds8

About 2-[2-fluoro-4-[2-oxo-2-[[1-(1,2,2-trifluoroethyl)pyrazol-3-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide

2-[2-fluoro-4-[2-oxo-2-[[1-(1,2,2-trifluoroethyl)pyrazol-3-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 175514474) has the molecular formula C19H15F4N5O3 and a molecular weight of 437.35 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-oxo-2-[[1-(1,2,2-trifluoroethyl)pyrazol-3-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[2-oxo-2-[[1-(1,2,2-trifluoroethyl)pyrazol-3-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide
PubChem CID175514474
Molecular FormulaC19H15F4N5O3
Molecular Weight437.35 g/mol
Exact Mass437.11
IUPAC Name2-[2-fluoro-4-[2-oxo-2-[[1-(1,2,2-trifluoroethyl)pyrazol-3-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2ccn(C(F)C(F)F)n2)cc1F
InChIInChI=1S/C19H15F4N5O3/c20-12-8-10(3-4-13(12)31-19-11(18(24)30)2-1-6-25-19)9-15(29)26-14-5-7-28(27-14)17(23)16(21)22/h1-8,16-17H,9H2,(H2,24,30)(H,26,27,29)
InChIKeyJGYKQKRWFPXQSB-UHFFFAOYSA-N
XLogP3.22
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-fluoro-4-[2-oxo-2-[[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 137408485
2-[2-fluoro-4-[2-oxo-2-[(1-propan-2-ylbenzimidazol-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 137408529
2-[4-[2-[[1-(2,2-difluoroethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide
CID 137408509
2-[2-fluoro-4-[2-oxo-2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 142516274
2-[4-[2-[(5-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide
CID 137419492
2-[4-[2-[[4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide
CID 137408503
2-[2-fluoro-4-[2-[[7-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide
CID 170186887
2-[4-[2-[[5-(3,5-dimethylpyrazolidin-4-yl)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide
CID 164607382
2-[4-[2-[[5-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide
CID 164607387
2-[4-[2-[[4-[(3R,4E,6Z)-3,8-dimethylnona-4,6,8-trien-4-yl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide
CID 137419318
2-[4-[(3-acetyl-2-pyridinyl)oxy]-3-fluorophenyl]-N-(5-pyrazin-2-yl-4H-pyrazol-3-yl)acetamide
CID 164607384
2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315910

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-oxo-2-[[1-(1,2,2-trifluoroethyl)pyrazol-3-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[2-fluoro-4-[2-oxo-2-[[1-(1,2,2-trifluoroethyl)pyrazol-3-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide (CID 175514474) is 2-[2-fluoro-4-[2-oxo-2-[[1-(1,2,2-trifluoroethyl)pyrazol-3-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-fluoro-4-[2-oxo-2-[[1-(1,2,2-trifluoroethyl)pyrazol-3-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-fluoro-4-[2-oxo-2-[[1-(1,2,2-trifluoroethyl)pyrazol-3-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide is NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2ccn(C(F)C(F)F)n2)cc1F.
What is the InChIKey of 2-[2-fluoro-4-[2-oxo-2-[[1-(1,2,2-trifluoroethyl)pyrazol-3-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is JGYKQKRWFPXQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N5O3/c20-12-8-10(3-4-13(12)31-19-11(18(24)30)2-1-6-25-19)9-15(29)26-14-5-7-28(27-14)17(23)16(21)22/h1-8,16-17H,9H2,(H2,24,30)(H,26,27,29).
What are the key properties of 2-[2-fluoro-4-[2-oxo-2-[[1-(1,2,2-trifluoroethyl)pyrazol-3-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
2-[2-fluoro-4-[2-oxo-2-[[1-(1,2,2-trifluoroethyl)pyrazol-3-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 437.35 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[2-oxo-2-[[1-(1,2,2-trifluoroethyl)pyrazol-3-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 175514474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).