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

C19H21N7O — CID 110110841

IUPAC[4-[3-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
SMILESCc1ncncc1C(=O)N1CCC(c2nccnc2-c2cncn2C)CC1
InChIInChI=1S/C19H21N7O/c1-13-15(9-20-11-24-13)19(27)26-7-3-14(4-8-26)17-18(23-6-5-22-17)16-10-21-12-25(16)2/h5-6,9-12,14H,3-4,7-8H2,1-2H3
InChIKeyDBRDPCQJJHUHNW-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.00
Rot. Bonds3

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

[4-[3-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone (PubChem CID 110110841) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is [4-[3-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-[3-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
PubChem CID110110841
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name[4-[3-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
SMILESCc1ncncc1C(=O)N1CCC(c2nccnc2-c2cncn2C)CC1
InChIInChI=1S/C19H21N7O/c1-13-15(9-20-11-24-13)19(27)26-7-3-14(4-8-26)17-18(23-6-5-22-17)16-10-21-12-25(16)2/h5-6,9-12,14H,3-4,7-8H2,1-2H3
InChIKeyDBRDPCQJJHUHNW-UHFFFAOYSA-N
XLogP2.00
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.00
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]-(4-methylpyrimidin-5-yl)methanone
CID 110110840
1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 110836281
[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70731143
1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone
CID 110850335
(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(4-methylpyrimidin-5-yl)methanone
CID 124988703
[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 72938936
2-(1-cyclopentylpiperidin-3-yl)-3-(3-methylimidazol-4-yl)pyrazine
CID 110110158
3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one
CID 138009536
(4-methylpyrimidin-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124553964
(4-methylpyrimidin-5-yl)-[4-[(2S)-1-methylsulfonylpiperidin-2-yl]piperidin-1-yl]methanone
CID 92632719
[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 110146823
1-[4-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95842023

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone?
The IUPAC name of [4-[3-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone (CID 110110841) is [4-[3-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone.
What is the SMILES notation for [4-[3-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone?
The canonical SMILES for [4-[3-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone is Cc1ncncc1C(=O)N1CCC(c2nccnc2-c2cncn2C)CC1.
What is the InChIKey of [4-[3-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone?
The InChIKey is DBRDPCQJJHUHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-13-15(9-20-11-24-13)19(27)26-7-3-14(4-8-26)17-18(23-6-5-22-17)16-10-21-12-25(16)2/h5-6,9-12,14H,3-4,7-8H2,1-2H3.
What are the key properties of [4-[3-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone?
[4-[3-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone has a molecular weight of 363.43 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone is sourced from PubChem (CID 110110841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).