2-[2-fluoro-4-[2-oxo-2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide

C22H15F4N5O3 — CID 142516274

IUPAC2-[2-fluoro-4-[2-oxo-2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2cn3cc(C(F)(F)F)ccc3n2)cc1F
InChIInChI=1S/C22H15F4N5O3/c23-15-8-12(3-5-16(15)34-21-14(20(27)33)2-1-7-28-21)9-19(32)30-17-11-31-10-13(22(24,25)26)4-6-18(31)29-17/h1-8,10-11H,9H2,(H2,27,33)(H,30,32)
InChIKeyFJANTVRQQYECNB-UHFFFAOYSA-N
MW473.39 g/mol
LogP3.96
Rot. Bonds6

About 2-[2-fluoro-4-[2-oxo-2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide

2-[2-fluoro-4-[2-oxo-2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 142516274) has the molecular formula C22H15F4N5O3 and a molecular weight of 473.39 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-oxo-2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[2-oxo-2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide
PubChem CID142516274
Molecular FormulaC22H15F4N5O3
Molecular Weight473.39 g/mol
Exact Mass473.11
IUPAC Name2-[2-fluoro-4-[2-oxo-2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2cn3cc(C(F)(F)F)ccc3n2)cc1F
InChIInChI=1S/C22H15F4N5O3/c23-15-8-12(3-5-16(15)34-21-14(20(27)33)2-1-7-28-21)9-19(32)30-17-11-31-10-13(22(24,25)26)4-6-18(31)29-17/h1-8,10-11H,9H2,(H2,27,33)(H,30,32)
InChIKeyFJANTVRQQYECNB-UHFFFAOYSA-N
XLogP3.96
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-oxo-2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[2-fluoro-4-[2-oxo-2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide (CID 142516274) is 2-[2-fluoro-4-[2-oxo-2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-fluoro-4-[2-oxo-2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-fluoro-4-[2-oxo-2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide is NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2cn3cc(C(F)(F)F)ccc3n2)cc1F.
What is the InChIKey of 2-[2-fluoro-4-[2-oxo-2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is FJANTVRQQYECNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4N5O3/c23-15-8-12(3-5-16(15)34-21-14(20(27)33)2-1-7-28-21)9-19(32)30-17-11-31-10-13(22(24,25)26)4-6-18(31)29-17/h1-8,10-11H,9H2,(H2,27,33)(H,30,32).
What are the key properties of 2-[2-fluoro-4-[2-oxo-2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
2-[2-fluoro-4-[2-oxo-2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 473.39 g/mol, XLogP of 3.96, 6 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-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 142516274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).