2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide

C22H23F3N6O2 — CID 164558229

IUPAC2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NC2CCC(Nc3cccc4nc(C(F)(F)F)cn34)CC2)ccn1
InChIInChI=1S/C22H23F3N6O2/c1-13(32)27-18-11-14(9-10-26-18)21(33)29-16-7-5-15(6-8-16)28-19-3-2-4-20-30-17(12-31(19)20)22(23,24)25/h2-4,9-12,15-16,28H,5-8H2,1H3,(H,29,33)(H,26,27,32)
InChIKeyRVXJSLVIEYRYPX-UHFFFAOYSA-N
MW460.46 g/mol
LogP3.86
Rot. Bonds5

About 2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide

2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide (PubChem CID 164558229) has the molecular formula C22H23F3N6O2 and a molecular weight of 460.46 g/mol. Its IUPAC name is 2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide
PubChem CID164558229
Molecular FormulaC22H23F3N6O2
Molecular Weight460.46 g/mol
Exact Mass460.18
IUPAC Name2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NC2CCC(Nc3cccc4nc(C(F)(F)F)cn34)CC2)ccn1
InChIInChI=1S/C22H23F3N6O2/c1-13(32)27-18-11-14(9-10-26-18)21(33)29-16-7-5-15(6-8-16)28-19-3-2-4-20-30-17(12-31(19)20)22(23,24)25/h2-4,9-12,15-16,28H,5-8H2,1H3,(H,29,33)(H,26,27,32)
InChIKeyRVXJSLVIEYRYPX-UHFFFAOYSA-N
XLogP3.86
TPSA100.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide
CID 177065630
2-(propan-2-ylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 164558337
2-(prop-1-en-2-ylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohept-4-en-1-yl]pyridine-4-carboxamide
CID 164558149
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 164558237
3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 164558091
2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 164558189
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
methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate
CID 168782772
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]pyrazole-3-carboxylate
CID 166009025
4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide
CID 166008993

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide?
The IUPAC name of 2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide (CID 164558229) is 2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide is CC(=O)Nc1cc(C(=O)NC2CCC(Nc3cccc4nc(C(F)(F)F)cn34)CC2)ccn1.
What is the InChIKey of 2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide?
The InChIKey is RVXJSLVIEYRYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O2/c1-13(32)27-18-11-14(9-10-26-18)21(33)29-16-7-5-15(6-8-16)28-19-3-2-4-20-30-17(12-31(19)20)22(23,24)25/h2-4,9-12,15-16,28H,5-8H2,1H3,(H,29,33)(H,26,27,32).
What are the key properties of 2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide?
2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide has a molecular weight of 460.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide is sourced from PubChem (CID 164558229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).