2-(3-methylimidazol-4-yl)-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]pyrazine

C18H21N7 — CID 110131818

IUPAC2-(3-methylimidazol-4-yl)-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]pyrazine
SMILESCn1cncc1-c1nccnc1CC1CCN(c2ccncn2)CC1
InChIInChI=1S/C18H21N7/c1-24-13-20-11-16(24)18-15(21-6-7-22-18)10-14-3-8-25(9-4-14)17-2-5-19-12-23-17/h2,5-7,11-14H,3-4,8-10H2,1H3
InChIKeyGPBLQJOAKNQJJO-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.13
Rot. Bonds4

About 2-(3-methylimidazol-4-yl)-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]pyrazine

2-(3-methylimidazol-4-yl)-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]pyrazine (PubChem CID 110131818) has the molecular formula C18H21N7 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]pyrazine
PubChem CID110131818
Molecular FormulaC18H21N7
Molecular Weight335.41 g/mol
Exact Mass335.19
IUPAC Name2-(3-methylimidazol-4-yl)-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]pyrazine
SMILESCn1cncc1-c1nccnc1CC1CCN(c2ccncn2)CC1
InChIInChI=1S/C18H21N7/c1-24-13-20-11-16(24)18-15(21-6-7-22-18)10-14-3-8-25(9-4-14)17-2-5-19-12-23-17/h2,5-7,11-14H,3-4,8-10H2,1H3
InChIKeyGPBLQJOAKNQJJO-UHFFFAOYSA-N
XLogP2.13
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methylimidazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]pyrazine
CID 110131808
4-[4-(2-chloroethyl)piperidin-1-yl]pyrimidine
CID 131015455
4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine
CID 163491311
5-cyclopropyl-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 146155362
ethane;propane;4-pyrrolidin-1-ylpyrimidine
CID 156866865
4-(4-methoxypiperidin-1-yl)pyrimidine
CID 140584286
2-(2,3-dimethylimidazol-4-yl)-3-[[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methyl]pyrazine
CID 125004932
(1-pyrimidin-4-ylpiperidin-4-yl) 3-ethylpyridine-4-carboxylate
CID 86789991
tert-butyl N-methyl-N-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]carbamate
CID 66805336
N-methyl-1-(1-pyrimidin-4-ylpiperidin-4-yl)ethanamine
CID 63854224
6-[[(4S)-1-pyrimidin-4-ylazepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 124989944
2-(2,3-dimethylimidazol-4-yl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]pyrazine
CID 110100546

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]pyrazine?
The IUPAC name of 2-(3-methylimidazol-4-yl)-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]pyrazine (CID 110131818) is 2-(3-methylimidazol-4-yl)-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]pyrazine.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]pyrazine?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]pyrazine is Cn1cncc1-c1nccnc1CC1CCN(c2ccncn2)CC1.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]pyrazine?
The InChIKey is GPBLQJOAKNQJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-24-13-20-11-16(24)18-15(21-6-7-22-18)10-14-3-8-25(9-4-14)17-2-5-19-12-23-17/h2,5-7,11-14H,3-4,8-10H2,1H3.
What are the key properties of 2-(3-methylimidazol-4-yl)-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]pyrazine?
2-(3-methylimidazol-4-yl)-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]pyrazine has a molecular weight of 335.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]pyrazine is sourced from PubChem (CID 110131818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).