2-[3-(3-amino-3-oxopropyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

C12H14N4O3S — CID 79301674

IUPAC2-[3-(3-amino-3-oxopropyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCc1cnc2c(c1)nc(SCC(=O)O)n2CCC(N)=O
InChIInChI=1S/C12H14N4O3S/c1-7-4-8-11(14-5-7)16(3-2-9(13)17)12(15-8)20-6-10(18)19/h4-5H,2-3,6H2,1H3,(H2,13,17)(H,18,19)
InChIKeyQNSZRVHJGGCJDV-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.79
Rot. Bonds6

About 2-[3-(3-amino-3-oxopropyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

2-[3-(3-amino-3-oxopropyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (PubChem CID 79301674) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-[3-(3-amino-3-oxopropyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[3-(3-amino-3-oxopropyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
PubChem CID79301674
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name2-[3-(3-amino-3-oxopropyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCc1cnc2c(c1)nc(SCC(=O)O)n2CCC(N)=O
InChIInChI=1S/C12H14N4O3S/c1-7-4-8-11(14-5-7)16(3-2-9(13)17)12(15-8)20-6-10(18)19/h4-5H,2-3,6H2,1H3,(H2,13,17)(H,18,19)
InChIKeyQNSZRVHJGGCJDV-UHFFFAOYSA-N
XLogP0.79
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-(3-amino-3-oxopropyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid with MolForge

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Related Compounds

2-[3-(2-cyclopropylethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79301245
2-[3-(cyclopentylmethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79279614
2-(3-tert-butyl-6-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid
CID 79301170
2-[3-(3-amino-3-oxopropyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetic acid
CID 43553845
3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061501
2-[1-(2-amino-2-oxoethyl)-5-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 43661232
2-[3-(1-methoxybutan-2-yl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79279621
3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061511
2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)sulfanylacetic acid
CID 43670376
2-[1-(3-methoxy-3-oxopropyl)-5-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 61294074
3-[6-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 82061512
2-[6-chloro-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 113303862

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-amino-3-oxopropyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[3-(3-amino-3-oxopropyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (CID 79301674) is 2-[3-(3-amino-3-oxopropyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[3-(3-amino-3-oxopropyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[3-(3-amino-3-oxopropyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is Cc1cnc2c(c1)nc(SCC(=O)O)n2CCC(N)=O.
What is the InChIKey of 2-[3-(3-amino-3-oxopropyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is QNSZRVHJGGCJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-7-4-8-11(14-5-7)16(3-2-9(13)17)12(15-8)20-6-10(18)19/h4-5H,2-3,6H2,1H3,(H2,13,17)(H,18,19).
What are the key properties of 2-[3-(3-amino-3-oxopropyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
2-[3-(3-amino-3-oxopropyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 294.34 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-amino-3-oxopropyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 79301674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).