5-ethyl-6-methyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]cyclohexa-1,3-diene-1-carboxylic acid

C18H22N4O2 — CID 123899815

IUPAC5-ethyl-6-methyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]cyclohexa-1,3-diene-1-carboxylic acid
SMILESCCC1C(N(C)c2cc3c(cn2)ncn3C)=CC=C(C(=O)O)C1C
InChIInChI=1S/C18H22N4O2/c1-5-12-11(2)13(18(23)24)6-7-15(12)22(4)17-8-16-14(9-19-17)20-10-21(16)3/h6-12H,5H2,1-4H3,(H,23,24)
InChIKeyWWAXUNGWJWXHCL-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.98
Rot. Bonds4

About 5-ethyl-6-methyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]cyclohexa-1,3-diene-1-carboxylic acid

5-ethyl-6-methyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]cyclohexa-1,3-diene-1-carboxylic acid (PubChem CID 123899815) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-ethyl-6-methyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]cyclohexa-1,3-diene-1-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-6-methyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]cyclohexa-1,3-diene-1-carboxylic acid
PubChem CID123899815
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-ethyl-6-methyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]cyclohexa-1,3-diene-1-carboxylic acid
SMILESCCC1C(N(C)c2cc3c(cn2)ncn3C)=CC=C(C(=O)O)C1C
InChIInChI=1S/C18H22N4O2/c1-5-12-11(2)13(18(23)24)6-7-15(12)22(4)17-8-16-14(9-19-17)20-10-21(16)3/h6-12H,5H2,1-4H3,(H,23,24)
InChIKeyWWAXUNGWJWXHCL-UHFFFAOYSA-N
XLogP2.98
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]cyclohexa-1,3-diene-1-carboxylic acid?
The IUPAC name of 5-ethyl-6-methyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]cyclohexa-1,3-diene-1-carboxylic acid (CID 123899815) is 5-ethyl-6-methyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]cyclohexa-1,3-diene-1-carboxylic acid.
What is the SMILES notation for 5-ethyl-6-methyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]cyclohexa-1,3-diene-1-carboxylic acid?
The canonical SMILES for 5-ethyl-6-methyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]cyclohexa-1,3-diene-1-carboxylic acid is CCC1C(N(C)c2cc3c(cn2)ncn3C)=CC=C(C(=O)O)C1C.
What is the InChIKey of 5-ethyl-6-methyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]cyclohexa-1,3-diene-1-carboxylic acid?
The InChIKey is WWAXUNGWJWXHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-5-12-11(2)13(18(23)24)6-7-15(12)22(4)17-8-16-14(9-19-17)20-10-21(16)3/h6-12H,5H2,1-4H3,(H,23,24).
What are the key properties of 5-ethyl-6-methyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]cyclohexa-1,3-diene-1-carboxylic acid?
5-ethyl-6-methyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]cyclohexa-1,3-diene-1-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]cyclohexa-1,3-diene-1-carboxylic acid is sourced from PubChem (CID 123899815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).