1-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]indole-3-carboxamide

C23H22F3N5O — CID 166009085

IUPAC1-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]indole-3-carboxamide
SMILESNC(=O)c1cn(C2CCC(Nc3cccc4nc(C(F)(F)F)cn34)CC2)c2ccccc12
InChIInChI=1S/C23H22F3N5O/c24-23(25,26)19-13-31-20(6-3-7-21(31)29-19)28-14-8-10-15(11-9-14)30-12-17(22(27)32)16-4-1-2-5-18(16)30/h1-7,12-15,28H,8-11H2,(H2,27,32)
InChIKeyYPVFLVQBPMWFQF-UHFFFAOYSA-N
MW441.46 g/mol
LogP5.00
Rot. Bonds4

About 1-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]indole-3-carboxamide

1-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]indole-3-carboxamide (PubChem CID 166009085) has the molecular formula C23H22F3N5O and a molecular weight of 441.46 g/mol. Its IUPAC name is 1-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]indole-3-carboxamide
PubChem CID166009085
Molecular FormulaC23H22F3N5O
Molecular Weight441.46 g/mol
Exact Mass441.18
IUPAC Name1-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]indole-3-carboxamide
SMILESNC(=O)c1cn(C2CCC(Nc3cccc4nc(C(F)(F)F)cn34)CC2)c2ccccc12
InChIInChI=1S/C23H22F3N5O/c24-23(25,26)19-13-31-20(6-3-7-21(31)29-19)28-14-8-10-15(11-9-14)30-12-17(22(27)32)16-4-1-2-5-18(16)30/h1-7,12-15,28H,8-11H2,(H2,27,32)
InChIKeyYPVFLVQBPMWFQF-UHFFFAOYSA-N
XLogP5.00
TPSA77.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.46
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]indole-3-carboxamide?
The IUPAC name of 1-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]indole-3-carboxamide (CID 166009085) is 1-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]indole-3-carboxamide.
What is the SMILES notation for 1-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]indole-3-carboxamide?
The canonical SMILES for 1-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]indole-3-carboxamide is NC(=O)c1cn(C2CCC(Nc3cccc4nc(C(F)(F)F)cn34)CC2)c2ccccc12.
What is the InChIKey of 1-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]indole-3-carboxamide?
The InChIKey is YPVFLVQBPMWFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O/c24-23(25,26)19-13-31-20(6-3-7-21(31)29-19)28-14-8-10-15(11-9-14)30-12-17(22(27)32)16-4-1-2-5-18(16)30/h1-7,12-15,28H,8-11H2,(H2,27,32).
What are the key properties of 1-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]indole-3-carboxamide?
1-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]indole-3-carboxamide has a molecular weight of 441.46 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]indole-3-carboxamide is sourced from PubChem (CID 166009085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).