ethyl 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylate

C26H34N4O2 — CID 69446901

IUPACethyl 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(Nc2ccc(Cn3c(CC)nc4c(C)cc(C)nc43)cc2)CC1
InChIInChI=1S/C26H34N4O2/c1-5-23-29-24-17(3)15-18(4)27-25(24)30(23)16-19-7-11-21(12-8-19)28-22-13-9-20(10-14-22)26(31)32-6-2/h7-8,11-12,15,20,22,28H,5-6,9-10,13-14,16H2,1-4H3
InChIKeyZOSUFDGTFJJTOX-UHFFFAOYSA-N
MW434.58 g/mol
LogP5.19
Rot. Bonds7

About ethyl 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylate

ethyl 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylate (PubChem CID 69446901) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is ethyl 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylate
PubChem CID69446901
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Nameethyl 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(Nc2ccc(Cn3c(CC)nc4c(C)cc(C)nc43)cc2)CC1
InChIInChI=1S/C26H34N4O2/c1-5-23-29-24-17(3)15-18(4)27-25(24)30(23)16-19-7-11-21(12-8-19)28-22-13-9-20(10-14-22)26(31)32-6-2/h7-8,11-12,15,20,22,28H,5-6,9-10,13-14,16H2,1-4H3
InChIKeyZOSUFDGTFJJTOX-UHFFFAOYSA-N
XLogP5.19
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylate with MolForge

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Related Compounds

CID 56653076
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CID 665882
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CID 9982177
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CID 10004112
CID 10004112
CID 10027636
CID 10027636
CID 10322504
CID 10322504
CID 10344052
CID 10344052
CID 10365283
CID 10365283
CID 10409549
CID 10409549
CID 10456041
CID 10456041
CID 10618853
CID 10618853

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylate (CID 69446901) is ethyl 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(Nc2ccc(Cn3c(CC)nc4c(C)cc(C)nc43)cc2)CC1.
What is the InChIKey of ethyl 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylate?
The InChIKey is ZOSUFDGTFJJTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-5-23-29-24-17(3)15-18(4)27-25(24)30(23)16-19-7-11-21(12-8-19)28-22-13-9-20(10-14-22)26(31)32-6-2/h7-8,11-12,15,20,22,28H,5-6,9-10,13-14,16H2,1-4H3.
What are the key properties of ethyl 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylate?
ethyl 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylate has a molecular weight of 434.58 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylate is sourced from PubChem (CID 69446901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).