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

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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).