sodium 4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoate

C11H12N3NaO2 — CID 70344895

IUPACsodium 4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoate
SMILESCc1nc2cnccc2n1CCCC(=O)[O-].[Na+]
InChIInChI=1S/C11H13N3O2.Na/c1-8-13-9-7-12-5-4-10(9)14(8)6-2-3-11(15)16;/h4-5,7H,2-3,6H2,1H3,(H,15,16);/q;+1/p-1
InChIKeyFVXWQLQUMMSWCK-UHFFFAOYSA-M
MW241.23 g/mol
LogP-2.73
Rot. Bonds4

About sodium 4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoate

sodium 4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoate (PubChem CID 70344895) has the molecular formula C11H12N3NaO2 and a molecular weight of 241.23 g/mol. Its IUPAC name is sodium 4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoate.

Molecular Properties

Compound Namesodium 4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoate
PubChem CID70344895
Molecular FormulaC11H12N3NaO2
Molecular Weight241.23 g/mol
Exact Mass241.08
IUPAC Namesodium 4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoate
SMILESCc1nc2cnccc2n1CCCC(=O)[O-].[Na+]
InChIInChI=1S/C11H13N3O2.Na/c1-8-13-9-7-12-5-4-10(9)14(8)6-2-3-11(15)16;/h4-5,7H,2-3,6H2,1H3,(H,15,16);/q;+1/p-1
InChIKeyFVXWQLQUMMSWCK-UHFFFAOYSA-M
XLogP-2.73
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 5-2.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylimidazo[4,5-c]pyridin-1-yl)butan-1-amine
CID 19864517
sodium 4-(2,5,6-trimethylbenzimidazol-1-yl)butanoate
CID 165382501
1-(2-chloroethyl)-2-methylimidazo[4,5-c]pyridine
CID 676618
N-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 54221045
1-ethyl-2-methylimidazo[4,5-c]pyridine
CID 147300637
(2S)-4-methyl-2-[methyl-[6-(2-methylimidazo[4,5-c]pyridin-1-yl)hexanoyl]amino]pentanoic acid
CID 22866402
N-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]butanamide
CID 56994612
ethyl (2S)-4-methyl-2-[methyl-[5-(2-methylimidazo[4,5-c]pyridin-1-yl)pentanoyl]amino]pentanoate
CID 22866351
ethyl (2S)-4-methyl-2-[7-(2-methylimidazo[4,5-c]pyridin-1-yl)heptanoylamino]pentanoate
CID 22866327
N-methyl-8-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[8-(2-methylimidazo[4,5-c]pyridin-1-yl)octanoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]octanamide
CID 57034860
N-methyl-7-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[7-(2-methylimidazo[4,5-c]pyridin-1-yl)heptanoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]heptanamide
CID 57215040
(2S)-2-[ethoxycarbonyl-[6-(2-methylimidazo[4,5-c]pyridin-1-yl)hexanoyl]amino]-4-methylpentanoic acid
CID 57116228

Frequently Asked Questions

What is the IUPAC name of sodium 4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoate?
The IUPAC name of sodium 4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoate (CID 70344895) is sodium 4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoate.
What is the SMILES notation for sodium 4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoate?
The canonical SMILES for sodium 4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoate is Cc1nc2cnccc2n1CCCC(=O)[O-].[Na+].
What is the InChIKey of sodium 4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoate?
The InChIKey is FVXWQLQUMMSWCK-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13N3O2.Na/c1-8-13-9-7-12-5-4-10(9)14(8)6-2-3-11(15)16;/h4-5,7H,2-3,6H2,1H3,(H,15,16);/q;+1/p-1.
What are the key properties of sodium 4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoate?
sodium 4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoate has a molecular weight of 241.23 g/mol, XLogP of -2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoate is sourced from PubChem (CID 70344895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).