1-methyl-5-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-ylidene]amino]cyclohexyl]pyrazole-4-carboxamide

C20H22F6N6O — CID 164558182

IUPAC1-methyl-5-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-ylidene]amino]cyclohexyl]pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CCC(/N=c3\cccc4n3CC(C(F)(F)F)N4)CC2)c1C(F)(F)F
InChIInChI=1S/C20H22F6N6O/c1-31-17(20(24,25)26)13(9-27-31)18(33)29-12-7-5-11(6-8-12)28-15-3-2-4-16-30-14(10-32(15)16)19(21,22)23/h2-4,9,11-12,14,30H,5-8,10H2,1H3,(H,29,33)/b28-15+
InChIKeyALSNXPOTEIIFGY-RWPZCVJISA-N
MW476.43 g/mol
LogP3.24
Rot. Bonds3

About 1-methyl-5-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-ylidene]amino]cyclohexyl]pyrazole-4-carboxamide

1-methyl-5-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-ylidene]amino]cyclohexyl]pyrazole-4-carboxamide (PubChem CID 164558182) has the molecular formula C20H22F6N6O and a molecular weight of 476.43 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-ylidene]amino]cyclohexyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-ylidene]amino]cyclohexyl]pyrazole-4-carboxamide
PubChem CID164558182
Molecular FormulaC20H22F6N6O
Molecular Weight476.43 g/mol
Exact Mass476.18
IUPAC Name1-methyl-5-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-ylidene]amino]cyclohexyl]pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CCC(/N=c3\cccc4n3CC(C(F)(F)F)N4)CC2)c1C(F)(F)F
InChIInChI=1S/C20H22F6N6O/c1-31-17(20(24,25)26)13(9-27-31)18(33)29-12-7-5-11(6-8-12)28-15-3-2-4-16-30-14(10-32(15)16)19(21,22)23/h2-4,9,11-12,14,30H,5-8,10H2,1H3,(H,29,33)/b28-15+
InChIKeyALSNXPOTEIIFGY-RWPZCVJISA-N
XLogP3.24
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methyl-5-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-ylidene]amino]cyclohexyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-ylidene]amino]cyclohexyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-5-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-ylidene]amino]cyclohexyl]pyrazole-4-carboxamide (CID 164558182) is 1-methyl-5-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-ylidene]amino]cyclohexyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-5-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-ylidene]amino]cyclohexyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-5-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-ylidene]amino]cyclohexyl]pyrazole-4-carboxamide is Cn1ncc(C(=O)NC2CCC(/N=c3\cccc4n3CC(C(F)(F)F)N4)CC2)c1C(F)(F)F.
What is the InChIKey of 1-methyl-5-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-ylidene]amino]cyclohexyl]pyrazole-4-carboxamide?
The InChIKey is ALSNXPOTEIIFGY-RWPZCVJISA-N. The full InChI is InChI=1S/C20H22F6N6O/c1-31-17(20(24,25)26)13(9-27-31)18(33)29-12-7-5-11(6-8-12)28-15-3-2-4-16-30-14(10-32(15)16)19(21,22)23/h2-4,9,11-12,14,30H,5-8,10H2,1H3,(H,29,33)/b28-15+.
What are the key properties of 1-methyl-5-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-ylidene]amino]cyclohexyl]pyrazole-4-carboxamide?
1-methyl-5-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-ylidene]amino]cyclohexyl]pyrazole-4-carboxamide has a molecular weight of 476.43 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-ylidene]amino]cyclohexyl]pyrazole-4-carboxamide is sourced from PubChem (CID 164558182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).