3-amino-2-methanimidoyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide

C22H23F3N6O — CID 167142206

IUPAC3-amino-2-methanimidoyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
SMILES[H]/N=C/c1c(N)cccc1C(=O)NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1
InChIInChI=1S/C22H23F3N6O/c23-22(24,25)18-12-31-19(5-2-6-20(31)30-18)28-13-7-9-14(10-8-13)29-21(32)15-3-1-4-17(27)16(15)11-26/h1-6,11-14,26,28H,7-10,27H2,(H,29,32)/b26-11+
InChIKeyCDVOIODYMUNBEV-KBKYJPHKSA-N
MW444.46 g/mol
LogP4.09
Rot. Bonds5

About 3-amino-2-methanimidoyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide

3-amino-2-methanimidoyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide (PubChem CID 167142206) has the molecular formula C22H23F3N6O and a molecular weight of 444.46 g/mol. Its IUPAC name is 3-amino-2-methanimidoyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name3-amino-2-methanimidoyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
PubChem CID167142206
Molecular FormulaC22H23F3N6O
Molecular Weight444.46 g/mol
Exact Mass444.19
IUPAC Name3-amino-2-methanimidoyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
SMILES[H]/N=C/c1c(N)cccc1C(=O)NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1
InChIInChI=1S/C22H23F3N6O/c23-22(24,25)18-12-31-19(5-2-6-20(31)30-18)28-13-7-9-14(10-8-13)29-21(32)15-3-1-4-17(27)16(15)11-26/h1-6,11-14,26,28H,7-10,27H2,(H,29,32)/b26-11+
InChIKeyCDVOIODYMUNBEV-KBKYJPHKSA-N
XLogP4.09
TPSA108.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 54.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 164558189
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide
CID 164558388
3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide
CID 164558406
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indole-3-carboxamide
CID 166009171
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 166009116
(E)-2-(5-amino-1H-pyrazol-4-yl)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]but-2-enamide
CID 168782777
4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 166009130
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]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 164558237
4-fluoro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-3-carboxamide
CID 166009045
4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide
CID 166008993
methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate
CID 168782772

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methanimidoyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide?
The IUPAC name of 3-amino-2-methanimidoyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide (CID 167142206) is 3-amino-2-methanimidoyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide.
What is the SMILES notation for 3-amino-2-methanimidoyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide?
The canonical SMILES for 3-amino-2-methanimidoyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide is [H]/N=C/c1c(N)cccc1C(=O)NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1.
What is the InChIKey of 3-amino-2-methanimidoyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide?
The InChIKey is CDVOIODYMUNBEV-KBKYJPHKSA-N. The full InChI is InChI=1S/C22H23F3N6O/c23-22(24,25)18-12-31-19(5-2-6-20(31)30-18)28-13-7-9-14(10-8-13)29-21(32)15-3-1-4-17(27)16(15)11-26/h1-6,11-14,26,28H,7-10,27H2,(H,29,32)/b26-11+.
What are the key properties of 3-amino-2-methanimidoyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide?
3-amino-2-methanimidoyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide has a molecular weight of 444.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methanimidoyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 167142206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).