2,3-dioxo-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-indole-7-carboxamide

C23H14F3N5O3 — CID 167142286

IUPAC2,3-dioxo-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-indole-7-carboxamide
SMILESO=C1Nc2c(C(=O)Nc3ccc(Nc4cccc5nc(C(F)(F)F)cn45)cc3)cccc2C1=O
InChIInChI=1S/C23H14F3N5O3/c24-23(25,26)16-11-31-17(5-2-6-18(31)29-16)27-12-7-9-13(10-8-12)28-21(33)15-4-1-3-14-19(15)30-22(34)20(14)32/h1-11,27H,(H,28,33)(H,30,32,34)
InChIKeyGKXPFEPCEQBRKQ-UHFFFAOYSA-N
MW465.39 g/mol
LogP4.48
Rot. Bonds4

About 2,3-dioxo-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-indole-7-carboxamide

2,3-dioxo-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-indole-7-carboxamide (PubChem CID 167142286) has the molecular formula C23H14F3N5O3 and a molecular weight of 465.39 g/mol. Its IUPAC name is 2,3-dioxo-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2,3-dioxo-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-indole-7-carboxamide
PubChem CID167142286
Molecular FormulaC23H14F3N5O3
Molecular Weight465.39 g/mol
Exact Mass465.10
IUPAC Name2,3-dioxo-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-indole-7-carboxamide
SMILESO=C1Nc2c(C(=O)Nc3ccc(Nc4cccc5nc(C(F)(F)F)cn45)cc3)cccc2C1=O
InChIInChI=1S/C23H14F3N5O3/c24-23(25,26)16-11-31-17(5-2-6-18(31)29-16)27-12-7-9-13(10-8-12)28-21(33)15-4-1-3-14-19(15)30-22(34)20(14)32/h1-11,27H,(H,28,33)(H,30,32,34)
InChIKeyGKXPFEPCEQBRKQ-UHFFFAOYSA-N
XLogP4.48
TPSA104.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.39
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide
CID 167141625
5-methoxy-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-pyrazole-4-carboxamide
CID 167141611
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]pyridine-3-carboxamide
CID 167141634
2-chloro-4-[methyl(2,2,2-trifluoroethyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide
CID 167142197
3-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide
CID 167141708
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-2-fluoro-4-methoxybenzamide
CID 164558054
N-[4-[(2-cyanoimidazo[1,2-a]pyridin-5-yl)amino]phenyl]-4-(methylamino)benzamide
CID 164558005
4-(2,2-difluoroethylamino)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide
CID 167142282
1-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-5-methylpyrrole-3-carboxamide
CID 164558481
3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide
CID 164558406
4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 166009130
2-chloro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154372250

Frequently Asked Questions

What is the IUPAC name of 2,3-dioxo-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-indole-7-carboxamide?
The IUPAC name of 2,3-dioxo-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-indole-7-carboxamide (CID 167142286) is 2,3-dioxo-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 2,3-dioxo-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-indole-7-carboxamide?
The canonical SMILES for 2,3-dioxo-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-indole-7-carboxamide is O=C1Nc2c(C(=O)Nc3ccc(Nc4cccc5nc(C(F)(F)F)cn45)cc3)cccc2C1=O.
What is the InChIKey of 2,3-dioxo-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-indole-7-carboxamide?
The InChIKey is GKXPFEPCEQBRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N5O3/c24-23(25,26)16-11-31-17(5-2-6-18(31)29-16)27-12-7-9-13(10-8-12)28-21(33)15-4-1-3-14-19(15)30-22(34)20(14)32/h1-11,27H,(H,28,33)(H,30,32,34).
What are the key properties of 2,3-dioxo-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-indole-7-carboxamide?
2,3-dioxo-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-indole-7-carboxamide has a molecular weight of 465.39 g/mol, XLogP of 4.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 167142286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).