2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid

C11H13N3O2 — CID 116984342

IUPAC2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid
SMILESCC(C(=O)O)c1nc(C#N)c2n1CCCC2
InChIInChI=1S/C11H13N3O2/c1-7(11(15)16)10-13-8(6-12)9-4-2-3-5-14(9)10/h7H,2-5H2,1H3,(H,15,16)
InChIKeyDDFGLYOWZAIXMC-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.28
Rot. Bonds2

About 2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid

2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid (PubChem CID 116984342) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid
PubChem CID116984342
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid
SMILESCC(C(=O)O)c1nc(C#N)c2n1CCCC2
InChIInChI=1S/C11H13N3O2/c1-7(11(15)16)10-13-8(6-12)9-4-2-3-5-14(9)10/h7H,2-5H2,1H3,(H,15,16)
InChIKeyDDFGLYOWZAIXMC-UHFFFAOYSA-N
XLogP1.28
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-cyano-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984416
(E)-3-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)prop-2-enoic acid
CID 116984372
1-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclobutane-1-carboxylic acid
CID 116984397
2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid
CID 83883838
3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984310
3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984426
2-amino-2-(3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 83897617
3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984332
3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984284
3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116836729
3-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984333
3-(3-aminobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984193

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The IUPAC name of 2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid (CID 116984342) is 2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The canonical SMILES for 2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid is CC(C(=O)O)c1nc(C#N)c2n1CCCC2.
What is the InChIKey of 2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The InChIKey is DDFGLYOWZAIXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(11(15)16)10-13-8(6-12)9-4-2-3-5-14(9)10/h7H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid?
2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid has a molecular weight of 219.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 116984342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).