7-cyano-6-(2-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid

C15H14N4O2 — CID 141064683

IUPAC7-cyano-6-(2-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid
SMILESCc1ncccc1-c1c(C#N)cc2n1CCN(C(=O)O)C2
InChIInChI=1S/C15H14N4O2/c1-10-13(3-2-4-17-10)14-11(8-16)7-12-9-18(15(20)21)5-6-19(12)14/h2-4,7H,5-6,9H2,1H3,(H,20,21)
InChIKeyZIWFMTMDMSLERO-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.22
Rot. Bonds1

About 7-cyano-6-(2-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid

7-cyano-6-(2-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid (PubChem CID 141064683) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 7-cyano-6-(2-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name7-cyano-6-(2-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid
PubChem CID141064683
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name7-cyano-6-(2-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid
SMILESCc1ncccc1-c1c(C#N)cc2n1CCN(C(=O)O)C2
InChIInChI=1S/C15H14N4O2/c1-10-13(3-2-4-17-10)14-11(8-16)7-12-9-18(15(20)21)5-6-19(12)14/h2-4,7H,5-6,9H2,1H3,(H,20,21)
InChIKeyZIWFMTMDMSLERO-UHFFFAOYSA-N
XLogP2.22
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-cyano-6-(2-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid with MolForge

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Related Compounds

3-[2-(3-cyanophenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 139347460
4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 139512630
8-cyano-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid
CID 89486449
phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate
CID 51278531
3-(3-cyano-2-fluorophenyl)pyridine-2-carboxylic acid
CID 53223141
2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812131
N-(3-cyano-4-fluorophenyl)-1-[5-(2-methyl-3-pyridinyl)-1H-pyrrole-2-carbonyl]pyrrolidine-3-carboxamide
CID 170425698
ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate
CID 24710040
2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110397273
5-(2-methyl-3-pyridinyl)-1H-pyrazole-4-carbonitrile
CID 67841089
7-cyano-8-iodo-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid
CID 91429855
2-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]benzoic acid
CID 2812107

Frequently Asked Questions

What is the IUPAC name of 7-cyano-6-(2-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid?
The IUPAC name of 7-cyano-6-(2-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid (CID 141064683) is 7-cyano-6-(2-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 7-cyano-6-(2-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 7-cyano-6-(2-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid is Cc1ncccc1-c1c(C#N)cc2n1CCN(C(=O)O)C2.
What is the InChIKey of 7-cyano-6-(2-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid?
The InChIKey is ZIWFMTMDMSLERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10-13(3-2-4-17-10)14-11(8-16)7-12-9-18(15(20)21)5-6-19(12)14/h2-4,7H,5-6,9H2,1H3,(H,20,21).
What are the key properties of 7-cyano-6-(2-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid?
7-cyano-6-(2-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-6-(2-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 141064683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).