2-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-4-methoxybenzamide

C22H23ClF2N4O2 — CID 166009158

IUPAC2-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCC(Nc3cccc4nc(C(F)F)cn34)CC2)c(Cl)c1
InChIInChI=1S/C22H23ClF2N4O2/c1-31-15-9-10-16(17(23)11-15)22(30)27-14-7-5-13(6-8-14)26-19-3-2-4-20-28-18(21(24)25)12-29(19)20/h2-4,9-14,21,26H,5-8H2,1H3,(H,27,30)
InChIKeyWQTZGVIVYORANG-UHFFFAOYSA-N
MW448.90 g/mol
LogP5.09
Rot. Bonds6

About 2-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-4-methoxybenzamide

2-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-4-methoxybenzamide (PubChem CID 166009158) has the molecular formula C22H23ClF2N4O2 and a molecular weight of 448.90 g/mol. Its IUPAC name is 2-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-4-methoxybenzamide
PubChem CID166009158
Molecular FormulaC22H23ClF2N4O2
Molecular Weight448.90 g/mol
Exact Mass448.15
IUPAC Name2-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCC(Nc3cccc4nc(C(F)F)cn34)CC2)c(Cl)c1
InChIInChI=1S/C22H23ClF2N4O2/c1-31-15-9-10-16(17(23)11-15)22(30)27-14-7-5-13(6-8-14)26-19-3-2-4-20-28-18(21(24)25)12-29(19)20/h2-4,9-14,21,26H,5-8H2,1H3,(H,27,30)
InChIKeyWQTZGVIVYORANG-UHFFFAOYSA-N
XLogP5.09
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.90
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 166009014
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3-(2-fluoropropylamino)-1-methylpyrazole-4-carboxamide
CID 177065631
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]-4-methylcyclohexyl]-3-methoxybenzamide
CID 167141685
2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 164558189
1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(3-methylphenyl)ethenyl]cyclohexane-1,4-diamine
CID 164558145
1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(1,4-dimethylpyrrol-3-yl)ethenyl]cyclohexane-1,4-diamine
CID 164558503
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide
CID 164558406
5-(difluoromethyl)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide
CID 166009020
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide
CID 164558388
methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate
CID 168782772
N-[1-(2-chloro-4-methylphenyl)ethenyl]-4-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]iminocyclohexan-1-amine
CID 164557975

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-4-methoxybenzamide?
The IUPAC name of 2-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-4-methoxybenzamide (CID 166009158) is 2-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-4-methoxybenzamide.
What is the SMILES notation for 2-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-4-methoxybenzamide?
The canonical SMILES for 2-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-4-methoxybenzamide is COc1ccc(C(=O)NC2CCC(Nc3cccc4nc(C(F)F)cn34)CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-4-methoxybenzamide?
The InChIKey is WQTZGVIVYORANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF2N4O2/c1-31-15-9-10-16(17(23)11-15)22(30)27-14-7-5-13(6-8-14)26-19-3-2-4-20-28-18(21(24)25)12-29(19)20/h2-4,9-14,21,26H,5-8H2,1H3,(H,27,30).
What are the key properties of 2-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-4-methoxybenzamide?
2-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-4-methoxybenzamide has a molecular weight of 448.90 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-4-methoxybenzamide is sourced from PubChem (CID 166009158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).