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

C18H20N6 — CID 124941674

IUPAC2-(1-methylimidazol-2-yl)-3-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
SMILESCn1ccnc1-c1nccnc1[C@@H]1CCCN1Cc1cccnc1
InChIInChI=1S/C18H20N6/c1-23-11-9-22-18(23)17-16(20-7-8-21-17)15-5-3-10-24(15)13-14-4-2-6-19-12-14/h2,4,6-9,11-12,15H,3,5,10,13H2,1H3/t15-/m0/s1
InChIKeyAOZXDWPCLSMCAO-HNNXBMFYSA-N
MW320.40 g/mol
LogP2.61
Rot. Bonds4

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

2-(1-methylimidazol-2-yl)-3-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine (PubChem CID 124941674) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-3-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-3-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
PubChem CID124941674
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name2-(1-methylimidazol-2-yl)-3-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
SMILESCn1ccnc1-c1nccnc1[C@@H]1CCCN1Cc1cccnc1
InChIInChI=1S/C18H20N6/c1-23-11-9-22-18(23)17-16(20-7-8-21-17)15-5-3-10-24(15)13-14-4-2-6-19-12-14/h2,4,6-9,11-12,15H,3,5,10,13H2,1H3/t15-/m0/s1
InChIKeyAOZXDWPCLSMCAO-HNNXBMFYSA-N
XLogP2.61
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyridine
CID 124992533
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
5-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]imidazo[1,2-a]pyridine
CID 110100075
[(2S)-2-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone
CID 124998253
5-methyl-3-[1-(pyridin-3-ylmethyl)azepan-2-yl]-1,2-oxazole
CID 110225930
2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817914
2-(2-ethylimidazol-1-yl)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 95838557
2-(2,3-dimethylimidazol-4-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazine
CID 110130910
3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine
CID 130756994
2-(1-benzylpiperidin-2-yl)-3-methylpyridine
CID 102539039
3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine
CID 146126331
N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110255606

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-3-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-3-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine (CID 124941674) is 2-(1-methylimidazol-2-yl)-3-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-3-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-3-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine is Cn1ccnc1-c1nccnc1[C@@H]1CCCN1Cc1cccnc1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-3-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine?
The InChIKey is AOZXDWPCLSMCAO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N6/c1-23-11-9-22-18(23)17-16(20-7-8-21-17)15-5-3-10-24(15)13-14-4-2-6-19-12-14/h2,4,6-9,11-12,15H,3,5,10,13H2,1H3/t15-/m0/s1.
What are the key properties of 2-(1-methylimidazol-2-yl)-3-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine?
2-(1-methylimidazol-2-yl)-3-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine has a molecular weight of 320.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-3-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 124941674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).