[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone

C20H23N7O — CID 110110840

IUPAC[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
SMILESCc1ncncc1C(=O)N1CCCC(c2nccnc2-c2cnc(C)n2C)C1
InChIInChI=1S/C20H23N7O/c1-13-16(9-21-12-25-13)20(28)27-8-4-5-15(11-27)18-19(23-7-6-22-18)17-10-24-14(2)26(17)3/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3
InChIKeyKOGYJYWCCVDHAD-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.30
Rot. Bonds3

About [3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone

[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone (PubChem CID 110110840) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is [3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
PubChem CID110110840
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
SMILESCc1ncncc1C(=O)N1CCCC(c2nccnc2-c2cnc(C)n2C)C1
InChIInChI=1S/C20H23N7O/c1-13-16(9-21-12-25-13)20(28)27-8-4-5-15(11-27)18-19(23-7-6-22-18)17-10-24-14(2)26(17)3/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3
InChIKeyKOGYJYWCCVDHAD-UHFFFAOYSA-N
XLogP2.30
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 110109922
1-[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110131823
1-[(3S)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124964605
[(3R)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 124999728
[4-[3-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 110110841
(4-methylpyrimidin-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124553964
2-(2,3-dimethylimidazol-4-yl)-3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrazine
CID 124949567
[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 97154995
3-[(3R)-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]benzoic acid
CID 97200974
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95737135
(4-methylpyrimidin-5-yl)-[(3R)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95867216
[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70731143

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone?
The IUPAC name of [3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone (CID 110110840) is [3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone.
What is the SMILES notation for [3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone?
The canonical SMILES for [3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone is Cc1ncncc1C(=O)N1CCCC(c2nccnc2-c2cnc(C)n2C)C1.
What is the InChIKey of [3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone?
The InChIKey is KOGYJYWCCVDHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-13-16(9-21-12-25-13)20(28)27-8-4-5-15(11-27)18-19(23-7-6-22-18)17-10-24-14(2)26(17)3/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3.
What are the key properties of [3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone?
[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone has a molecular weight of 377.45 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone is sourced from PubChem (CID 110110840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).