3-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoic acid

C18H25N3O2 — CID 93209597

IUPAC3-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoic acid
SMILESCc1cnc2c(c1)nc(CCC1CCCCC1)n2CCC(=O)O
InChIInChI=1S/C18H25N3O2/c1-13-11-15-18(19-12-13)21(10-9-17(22)23)16(20-15)8-7-14-5-3-2-4-6-14/h11-12,14H,2-10H2,1H3,(H,22,23)
InChIKeyQUXGQWZNFMQBLR-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.73
Rot. Bonds6

About 3-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoic acid

3-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoic acid (PubChem CID 93209597) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoic acid
PubChem CID93209597
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoic acid
SMILESCc1cnc2c(c1)nc(CCC1CCCCC1)n2CCC(=O)O
InChIInChI=1S/C18H25N3O2/c1-13-11-15-18(19-12-13)21(10-9-17(22)23)16(20-15)8-7-14-5-3-2-4-6-14/h11-12,14H,2-10H2,1H3,(H,22,23)
InChIKeyQUXGQWZNFMQBLR-UHFFFAOYSA-N
XLogP3.73
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoic acid?
The IUPAC name of 3-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoic acid (CID 93209597) is 3-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoic acid?
The canonical SMILES for 3-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoic acid is Cc1cnc2c(c1)nc(CCC1CCCCC1)n2CCC(=O)O.
What is the InChIKey of 3-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoic acid?
The InChIKey is QUXGQWZNFMQBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-11-15-18(19-12-13)21(10-9-17(22)23)16(20-15)8-7-14-5-3-2-4-6-14/h11-12,14H,2-10H2,1H3,(H,22,23).
What are the key properties of 3-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoic acid?
3-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoic acid has a molecular weight of 315.42 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoic acid is sourced from PubChem (CID 93209597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).