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

C24H30N4O2 — CID 23156142

IUPAC4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C24H30N4O2/c1-4-21-27-22-15(2)13-16(3)25-23(22)28(21)14-17-5-9-19(10-6-17)26-20-11-7-18(8-12-20)24(29)30/h5-6,9-10,13,18,20,26H,4,7-8,11-12,14H2,1-3H3,(H,29,30)
InChIKeyBVVUIURPVWCQKH-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.71
Rot. Bonds6

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

4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid (PubChem CID 23156142) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid
PubChem CID23156142
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C24H30N4O2/c1-4-21-27-22-15(2)13-16(3)25-23(22)28(21)14-17-5-9-19(10-6-17)26-20-11-7-18(8-12-20)24(29)30/h5-6,9-10,13,18,20,26H,4,7-8,11-12,14H2,1-3H3,(H,29,30)
InChIKeyBVVUIURPVWCQKH-UHFFFAOYSA-N
XLogP4.71
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid (CID 23156142) is 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(NC2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid?
The InChIKey is BVVUIURPVWCQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-4-21-27-22-15(2)13-16(3)25-23(22)28(21)14-17-5-9-19(10-6-17)26-20-11-7-18(8-12-20)24(29)30/h5-6,9-10,13,18,20,26H,4,7-8,11-12,14H2,1-3H3,(H,29,30).
What are the key properties of 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid?
4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid has a molecular weight of 406.53 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 23156142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).