2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine

C16H17N7 — CID 95815844

IUPAC2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine
SMILESc1cnc(N2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)nc1
InChIInChI=1S/C16H17N7/c1-3-13(11-22(7-1)16-19-4-2-5-20-16)14-9-18-10-15(21-14)23-8-6-17-12-23/h2,4-6,8-10,12-13H,1,3,7,11H2/t13-/m0/s1
InChIKeyUGQDSLIZWFTABZ-ZDUSSCGKSA-N
MW307.36 g/mol
LogP1.84
Rot. Bonds3

About 2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine

2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine (PubChem CID 95815844) has the molecular formula C16H17N7 and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine
PubChem CID95815844
Molecular FormulaC16H17N7
Molecular Weight307.36 g/mol
Exact Mass307.15
IUPAC Name2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine
SMILESc1cnc(N2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)nc1
InChIInChI=1S/C16H17N7/c1-3-13(11-22(7-1)16-19-4-2-5-20-16)14-9-18-10-15(21-14)23-8-6-17-12-23/h2,4-6,8-10,12-13H,1,3,7,11H2/t13-/m0/s1
InChIKeyUGQDSLIZWFTABZ-ZDUSSCGKSA-N
XLogP1.84
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-imidazol-1-yl-6-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
CID 110253590
2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine
CID 95829311
2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyrazine
CID 110090958
N-pyrazin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine
CID 110094062
N-pyridin-2-yl-6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine
CID 95814623
1-[(3S)-3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 95815681
2-imidazol-1-yl-6-[(3R)-1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrazine
CID 124993320
2-imidazol-1-yl-6-[(3R)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazine
CID 125010570
2-imidazol-1-yl-6-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazine
CID 110091021
4-[[3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 110090161
2-[(3S)-1-cyclohexylpiperidin-3-yl]-6-imidazol-1-ylpyridine
CID 95838629
2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
CID 110267895

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine?
The IUPAC name of 2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine (CID 95815844) is 2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine.
What is the SMILES notation for 2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine?
The canonical SMILES for 2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine is c1cnc(N2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)nc1.
What is the InChIKey of 2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine?
The InChIKey is UGQDSLIZWFTABZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17N7/c1-3-13(11-22(7-1)16-19-4-2-5-20-16)14-9-18-10-15(21-14)23-8-6-17-12-23/h2,4-6,8-10,12-13H,1,3,7,11H2/t13-/m0/s1.
What are the key properties of 2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine?
2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine has a molecular weight of 307.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine is sourced from PubChem (CID 95815844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).