N-[2-[4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]ethanimidoyl]acetamide

C26H28F3N7O2 — CID 171930133

IUPACN-[2-[4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]ethanimidoyl]acetamide
SMILES[H]/N=C(/CN1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1)NC(C)=O
InChIInChI=1S/C26H28F3N7O2/c1-16(37)33-24(31)14-36-8-5-17(6-9-36)7-10-38-23-4-3-18(11-19(23)26(27,28)29)20-12-22-25(21(13-30)34-20)32-15-35(22)2/h3-4,11-12,15,17H,5-10,14H2,1-2H3,(H2,31,33,37)
InChIKeyIPRBVXJINABIAK-UHFFFAOYSA-N
MW527.55 g/mol
LogP4.12
Rot. Bonds7

About N-[2-[4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]ethanimidoyl]acetamide

N-[2-[4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]ethanimidoyl]acetamide (PubChem CID 171930133) has the molecular formula C26H28F3N7O2 and a molecular weight of 527.55 g/mol. Its IUPAC name is N-[2-[4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]ethanimidoyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]ethanimidoyl]acetamide
PubChem CID171930133
Molecular FormulaC26H28F3N7O2
Molecular Weight527.55 g/mol
Exact Mass527.23
IUPAC NameN-[2-[4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]ethanimidoyl]acetamide
SMILES[H]/N=C(/CN1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1)NC(C)=O
InChIInChI=1S/C26H28F3N7O2/c1-16(37)33-24(31)14-36-8-5-17(6-9-36)7-10-38-23-4-3-18(11-19(23)26(27,28)29)20-12-22-25(21(13-30)34-20)32-15-35(22)2/h3-4,11-12,15,17H,5-10,14H2,1-2H3,(H2,31,33,37)
InChIKeyIPRBVXJINABIAK-UHFFFAOYSA-N
XLogP4.12
TPSA119.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.55
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-5-[4-(1-methylpiperidin-3-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine hydrochloride
CID 11270660
6-(4-Ethoxy-3-(trifluoromethyl)phenyl)-3H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 16662142
6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-(2-morpholinoethyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 17747162
1-(2-(dimethylamino)ethyl)-6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 17747164
6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-(3-morpholinopropyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 17747165
1-(3-(dimethylamino)propyl)-6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 17747166
1-methyl-6-(4-(3-(pyrrolidin-1-yl)propoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 25204268
1-methyl-6-(4-(3-(4-methylpiperazin-1-yl)propoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 25204335
6-(4-(3-(4-ethylpiperazin-1-yl)propoxy)-3-(trifluoromethyl)phenyl)-1-methyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 25204336
1-methyl-6-(4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 25204403
N-(2,6-dimethylphenyl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 44422570
1-methyl-6-(4-(2-(1-(oxazol-2-ylmethyl)piperidin-4-yl)ethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 46842579

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]ethanimidoyl]acetamide?
The IUPAC name of N-[2-[4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]ethanimidoyl]acetamide (CID 171930133) is N-[2-[4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]ethanimidoyl]acetamide.
What is the SMILES notation for N-[2-[4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]ethanimidoyl]acetamide?
The canonical SMILES for N-[2-[4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]ethanimidoyl]acetamide is [H]/N=C(/CN1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1)NC(C)=O.
What is the InChIKey of N-[2-[4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]ethanimidoyl]acetamide?
The InChIKey is IPRBVXJINABIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N7O2/c1-16(37)33-24(31)14-36-8-5-17(6-9-36)7-10-38-23-4-3-18(11-19(23)26(27,28)29)20-12-22-25(21(13-30)34-20)32-15-35(22)2/h3-4,11-12,15,17H,5-10,14H2,1-2H3,(H2,31,33,37).
What are the key properties of N-[2-[4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]ethanimidoyl]acetamide?
N-[2-[4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]ethanimidoyl]acetamide has a molecular weight of 527.55 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]ethanimidoyl]acetamide is sourced from PubChem (CID 171930133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).