N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]-4-methylcyclohexyl]-3-methoxybenzamide

C23H26F2N4O2 — CID 167141685

IUPACN-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]-4-methylcyclohexyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCC(C)(Nc3cccc4nc(C(F)F)cn34)CC2)c1
InChIInChI=1S/C23H26F2N4O2/c1-23(28-20-8-4-7-19-27-18(21(24)25)14-29(19)20)11-9-16(10-12-23)26-22(30)15-5-3-6-17(13-15)31-2/h3-8,13-14,16,21,28H,9-12H2,1-2H3,(H,26,30)
InChIKeyKCMXDBIBQASCOR-UHFFFAOYSA-N
MW428.48 g/mol
LogP4.82
Rot. Bonds6

About N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]-4-methylcyclohexyl]-3-methoxybenzamide

N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]-4-methylcyclohexyl]-3-methoxybenzamide (PubChem CID 167141685) has the molecular formula C23H26F2N4O2 and a molecular weight of 428.48 g/mol. Its IUPAC name is N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]-4-methylcyclohexyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]-4-methylcyclohexyl]-3-methoxybenzamide
PubChem CID167141685
Molecular FormulaC23H26F2N4O2
Molecular Weight428.48 g/mol
Exact Mass428.20
IUPAC NameN-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]-4-methylcyclohexyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCC(C)(Nc3cccc4nc(C(F)F)cn34)CC2)c1
InChIInChI=1S/C23H26F2N4O2/c1-23(28-20-8-4-7-19-27-18(21(24)25)14-29(19)20)11-9-16(10-12-23)26-22(30)15-5-3-6-17(13-15)31-2/h3-8,13-14,16,21,28H,9-12H2,1-2H3,(H,26,30)
InChIKeyKCMXDBIBQASCOR-UHFFFAOYSA-N
XLogP4.82
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]-4-methylcyclohexyl]-3-methoxybenzamide with MolForge

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Related Compounds

2-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-4-methoxybenzamide
CID 166009158
4-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 166009014
N-cyclopropyl-3-methoxybenzamide
CID 900156
methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate
CID 115617221
1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(3-methylphenyl)ethenyl]cyclohexane-1,4-diamine
CID 164558145
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528323
N-(4-cyanocyclohexyl)-3-methoxybenzamide
CID 115270167
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3-(2-fluoropropylamino)-1-methylpyrazole-4-carboxamide
CID 177065631
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110819864
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134099115

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]-4-methylcyclohexyl]-3-methoxybenzamide?
The IUPAC name of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]-4-methylcyclohexyl]-3-methoxybenzamide (CID 167141685) is N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]-4-methylcyclohexyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]-4-methylcyclohexyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]-4-methylcyclohexyl]-3-methoxybenzamide is COc1cccc(C(=O)NC2CCC(C)(Nc3cccc4nc(C(F)F)cn34)CC2)c1.
What is the InChIKey of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]-4-methylcyclohexyl]-3-methoxybenzamide?
The InChIKey is KCMXDBIBQASCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O2/c1-23(28-20-8-4-7-19-27-18(21(24)25)14-29(19)20)11-9-16(10-12-23)26-22(30)15-5-3-6-17(13-15)31-2/h3-8,13-14,16,21,28H,9-12H2,1-2H3,(H,26,30).
What are the key properties of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]-4-methylcyclohexyl]-3-methoxybenzamide?
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]-4-methylcyclohexyl]-3-methoxybenzamide has a molecular weight of 428.48 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]-4-methylcyclohexyl]-3-methoxybenzamide is sourced from PubChem (CID 167141685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).