2-imidazol-1-yl-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine

C17H18N6 — CID 95838554

IUPAC2-imidazol-1-yl-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
SMILESc1cncc(CN2CCC[C@H]2c2cncc(-n3ccnc3)n2)c1
InChIInChI=1S/C17H18N6/c1-3-14(9-18-5-1)12-22-7-2-4-16(22)15-10-20-11-17(21-15)23-8-6-19-13-23/h1,3,5-6,8-11,13,16H,2,4,7,12H2/t16-/m0/s1
InChIKeyZDZRIIBZNBPGBL-INIZCTEOSA-N
MW306.37 g/mol
LogP2.39
Rot. Bonds4

About 2-imidazol-1-yl-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine

2-imidazol-1-yl-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine (PubChem CID 95838554) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-imidazol-1-yl-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-imidazol-1-yl-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
PubChem CID95838554
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name2-imidazol-1-yl-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
SMILESc1cncc(CN2CCC[C@H]2c2cncc(-n3ccnc3)n2)c1
InChIInChI=1S/C17H18N6/c1-3-14(9-18-5-1)12-22-7-2-4-16(22)15-10-20-11-17(21-15)23-8-6-19-13-23/h1,3,5-6,8-11,13,16H,2,4,7,12H2/t16-/m0/s1
InChIKeyZDZRIIBZNBPGBL-INIZCTEOSA-N
XLogP2.39
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethylimidazol-1-yl)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 95838557
2-[(2R)-1-benzylpyrrolidin-2-yl]-6-imidazol-1-ylpyridine
CID 95815726
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
2-[(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-6-imidazol-1-ylpyridine
CID 95815752
1-[(3S)-3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 95815681
2-(1-benzylpyrrolidin-2-yl)-6-(2-ethylimidazol-1-yl)pyrazine
CID 110267837
1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
CID 95838452
2-imidazol-1-yl-6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95826958
2-imidazol-1-yl-6-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 110258092
2-imidazol-1-yl-6-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 95826941
2-imidazol-1-yl-6-[(2S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95826940
1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 95838459

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-imidazol-1-yl-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine (CID 95838554) is 2-imidazol-1-yl-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-imidazol-1-yl-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-imidazol-1-yl-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine is c1cncc(CN2CCC[C@H]2c2cncc(-n3ccnc3)n2)c1.
What is the InChIKey of 2-imidazol-1-yl-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine?
The InChIKey is ZDZRIIBZNBPGBL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N6/c1-3-14(9-18-5-1)12-22-7-2-4-16(22)15-10-20-11-17(21-15)23-8-6-19-13-23/h1,3,5-6,8-11,13,16H,2,4,7,12H2/t16-/m0/s1.
What are the key properties of 2-imidazol-1-yl-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine?
2-imidazol-1-yl-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine has a molecular weight of 306.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 95838554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).