1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone

C21H24N6O — CID 95810979

IUPAC1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESCCc1nccn1-c1nccnc1[C@@H]1CCCN(C(=O)Cc2cccnc2)C1
InChIInChI=1S/C21H24N6O/c1-2-18-23-10-12-27(18)21-20(24-8-9-25-21)17-6-4-11-26(15-17)19(28)13-16-5-3-7-22-14-16/h3,5,7-10,12,14,17H,2,4,6,11,13,15H2,1H3/t17-/m1/s1
InChIKeyJCRHBNHCNWTDNX-QGZVFWFLSA-N
MW376.46 g/mol
LogP2.57
Rot. Bonds5

About 1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone

1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 95810979) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID95810979
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESCCc1nccn1-c1nccnc1[C@@H]1CCCN(C(=O)Cc2cccnc2)C1
InChIInChI=1S/C21H24N6O/c1-2-18-23-10-12-27(18)21-20(24-8-9-25-21)17-6-4-11-26(15-17)19(28)13-16-5-3-7-22-14-16/h3,5,7-10,12,14,17H,2,4,6,11,13,15H2,1H3/t17-/m1/s1
InChIKeyJCRHBNHCNWTDNX-QGZVFWFLSA-N
XLogP2.57
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone with MolForge

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Related Compounds

1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95810981
[3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110250053
1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 110255017
2-chloro-1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175657175
1-[(3S)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95810928
2-(2-ethylimidazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97208620
2-(4-methoxyphenyl)-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95811002
1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 95838496
2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine
CID 110250066
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95810931
1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192805

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone (CID 95810979) is 1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone is CCc1nccn1-c1nccnc1[C@@H]1CCCN(C(=O)Cc2cccnc2)C1.
What is the InChIKey of 1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is JCRHBNHCNWTDNX-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N6O/c1-2-18-23-10-12-27(18)21-20(24-8-9-25-21)17-6-4-11-26(15-17)19(28)13-16-5-3-7-22-14-16/h3,5,7-10,12,14,17H,2,4,6,11,13,15H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 376.46 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 95810979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).