3-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)piperazin-1-yl]propanoic acid

C14H19N5O2 — CID 103385024

IUPAC3-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)piperazin-1-yl]propanoic acid
SMILESCn1cnc2c(N3CCN(CCC(=O)O)CC3)nccc21
InChIInChI=1S/C14H19N5O2/c1-17-10-16-13-11(17)2-4-15-14(13)19-8-6-18(7-9-19)5-3-12(20)21/h2,4,10H,3,5-9H2,1H3,(H,20,21)
InChIKeyPGYBERCAQJIXLU-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.56
Rot. Bonds4

About 3-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)piperazin-1-yl]propanoic acid

3-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)piperazin-1-yl]propanoic acid (PubChem CID 103385024) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)piperazin-1-yl]propanoic acid
PubChem CID103385024
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)piperazin-1-yl]propanoic acid
SMILESCn1cnc2c(N3CCN(CCC(=O)O)CC3)nccc21
InChIInChI=1S/C14H19N5O2/c1-17-10-16-13-11(17)2-4-15-14(13)19-8-6-18(7-9-19)5-3-12(20)21/h2,4,10H,3,5-9H2,1H3,(H,20,21)
InChIKeyPGYBERCAQJIXLU-UHFFFAOYSA-N
XLogP0.56
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)piperazin-1-yl]propanoic acid (CID 103385024) is 3-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)piperazin-1-yl]propanoic acid is Cn1cnc2c(N3CCN(CCC(=O)O)CC3)nccc21.
What is the InChIKey of 3-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)piperazin-1-yl]propanoic acid?
The InChIKey is PGYBERCAQJIXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-17-10-16-13-11(17)2-4-15-14(13)19-8-6-18(7-9-19)5-3-12(20)21/h2,4,10H,3,5-9H2,1H3,(H,20,21).
What are the key properties of 3-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)piperazin-1-yl]propanoic acid?
3-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)piperazin-1-yl]propanoic acid has a molecular weight of 289.34 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 103385024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).