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

C13H15N3O2 — CID 116984397

IUPAC1-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclobutane-1-carboxylic acid
SMILESN#Cc1nc(C2(C(=O)O)CCC2)n2c1CCCC2
InChIInChI=1S/C13H15N3O2/c14-8-9-10-4-1-2-7-16(10)11(15-9)13(12(17)18)5-3-6-13/h1-7H2,(H,17,18)
InChIKeyKMTFMWAETNIKGK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.60
Rot. Bonds2

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

1-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclobutane-1-carboxylic acid (PubChem CID 116984397) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclobutane-1-carboxylic acid
PubChem CID116984397
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclobutane-1-carboxylic acid
SMILESN#Cc1nc(C2(C(=O)O)CCC2)n2c1CCCC2
InChIInChI=1S/C13H15N3O2/c14-8-9-10-4-1-2-7-16(10)11(15-9)13(12(17)18)5-3-6-13/h1-7H2,(H,17,18)
InChIKeyKMTFMWAETNIKGK-UHFFFAOYSA-N
XLogP1.60
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984426
2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 116984342
(E)-3-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)prop-2-enoic acid
CID 116984372
3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984332
3-(1-cyano-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984416
3-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984333
4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)thiane-4-carboxylic acid
CID 82381823
3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984310
3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116836729
[3-[1-(hydroxymethyl)cyclobutyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanol
CID 116984533
3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984314
3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83865393

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclobutane-1-carboxylic acid (CID 116984397) is 1-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclobutane-1-carboxylic acid is N#Cc1nc(C2(C(=O)O)CCC2)n2c1CCCC2.
What is the InChIKey of 1-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclobutane-1-carboxylic acid?
The InChIKey is KMTFMWAETNIKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-8-9-10-4-1-2-7-16(10)11(15-9)13(12(17)18)5-3-6-13/h1-7H2,(H,17,18).
What are the key properties of 1-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclobutane-1-carboxylic acid?
1-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclobutane-1-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116984397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).