1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)piperidine-2-carboxylic acid

C13H18N4O3 — CID 63026728

IUPAC1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)N1CCn2ccnc2C1
InChIInChI=1S/C13H18N4O3/c18-12(19)10-3-1-2-5-17(10)13(20)16-8-7-15-6-4-14-11(15)9-16/h4,6,10H,1-3,5,7-9H2,(H,18,19)
InChIKeyOWMAUYVISSDCHK-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.76
Rot. Bonds1

About 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)piperidine-2-carboxylic acid

1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)piperidine-2-carboxylic acid (PubChem CID 63026728) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)piperidine-2-carboxylic acid
PubChem CID63026728
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)N1CCn2ccnc2C1
InChIInChI=1S/C13H18N4O3/c18-12(19)10-3-1-2-5-17(10)13(20)16-8-7-15-6-4-14-11(15)9-16/h4,6,10H,1-3,5,7-9H2,(H,18,19)
InChIKeyOWMAUYVISSDCHK-UHFFFAOYSA-N
XLogP0.76
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79382647
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl(piperidin-2-yl)methanone;dihydrochloride
CID 119874195
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63775078
1-(pyrrolidine-1-carbonyl)azocane-2-carboxylic acid
CID 114239747
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 103814195
2-(cyclopentylamino)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63025397
N-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 115642001
N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 115627322
(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 28509820
1-(3,4-dihydroxypyrrolidine-1-carbonyl)azepane-2-carboxylic acid
CID 106670554
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 66469791
(2R)-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 78923072

Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)piperidine-2-carboxylic acid (CID 63026728) is 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)N1CCn2ccnc2C1.
What is the InChIKey of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is OWMAUYVISSDCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c18-12(19)10-3-1-2-5-17(10)13(20)16-8-7-15-6-4-14-11(15)9-16/h4,6,10H,1-3,5,7-9H2,(H,18,19).
What are the key properties of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)piperidine-2-carboxylic acid?
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 63026728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).