4,6-dimethyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid

C16H23N3O2 — CID 79929549

IUPAC4,6-dimethyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(N2CC3CCCN3CC2C)n1
InChIInChI=1S/C16H23N3O2/c1-10-7-11(2)17-15(14(10)16(20)21)19-9-13-5-4-6-18(13)8-12(19)3/h7,12-13H,4-6,8-9H2,1-3H3,(H,20,21)
InChIKeyBRRMMTLCIWROFM-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.07
Rot. Bonds2

About 4,6-dimethyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid

4,6-dimethyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid (PubChem CID 79929549) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4,6-dimethyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
PubChem CID79929549
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4,6-dimethyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(N2CC3CCCN3CC2C)n1
InChIInChI=1S/C16H23N3O2/c1-10-7-11(2)17-15(14(10)16(20)21)19-9-13-5-4-6-18(13)8-12(19)3/h7,12-13H,4-6,8-9H2,1-3H3,(H,20,21)
InChIKeyBRRMMTLCIWROFM-UHFFFAOYSA-N
XLogP2.07
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,6-dimethyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid with MolForge

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Related Compounds

6-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
CID 79920483
4,6-dimethyl-2-(4-methylazepan-1-yl)pyridine-3-carboxylic acid
CID 63626870
2-(3,4-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
CID 55216937
3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridazine-4-carboxylic acid
CID 80517230
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid
CID 62890033
3-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)benzoic acid
CID 79918833
5-methyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-3-amine
CID 79940906
6-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carbothioamide
CID 79921499
[5-methyl-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol
CID 80628200
5-amino-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxamide
CID 114407032
4-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-5-carboxylic acid
CID 83180576
2-bromo-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)benzoic acid
CID 114888336

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid (CID 79929549) is 4,6-dimethyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(N2CC3CCCN3CC2C)n1.
What is the InChIKey of 4,6-dimethyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid?
The InChIKey is BRRMMTLCIWROFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10-7-11(2)17-15(14(10)16(20)21)19-9-13-5-4-6-18(13)8-12(19)3/h7,12-13H,4-6,8-9H2,1-3H3,(H,20,21).
What are the key properties of 4,6-dimethyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid?
4,6-dimethyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79929549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).