[(3S)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone

C19H20N6O — CID 124977592

IUPAC[(3S)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCn1ccnc1-c1cncc(C[C@@H]2CCN(C(=O)c3ccccn3)C2)n1
InChIInChI=1S/C19H20N6O/c1-24-9-7-22-18(24)17-12-20-11-15(23-17)10-14-5-8-25(13-14)19(26)16-4-2-3-6-21-16/h2-4,6-7,9,11-12,14H,5,8,10,13H2,1H3/t14-/m0/s1
InChIKeyLNMTVLYVGNHLCQ-AWEZNQCLSA-N
MW348.41 g/mol
LogP1.98
Rot. Bonds4

About [(3S)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone

[(3S)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 124977592) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is [(3S)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID124977592
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name[(3S)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCn1ccnc1-c1cncc(C[C@@H]2CCN(C(=O)c3ccccn3)C2)n1
InChIInChI=1S/C19H20N6O/c1-24-9-7-22-18(24)17-12-20-11-15(23-17)10-14-5-8-25(13-14)19(26)16-4-2-3-6-21-16/h2-4,6-7,9,11-12,14H,5,8,10,13H2,1H3/t14-/m0/s1
InChIKeyLNMTVLYVGNHLCQ-AWEZNQCLSA-N
XLogP1.98
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

[4-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110110205
cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methanone
CID 124993993
1-[4-[4-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110110604
[(3S)-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 125006434
[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 125003846
(3-fluorophenyl)-[(3S)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 125007681
[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 62063206
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 125024711
[(3S)-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 124991268
[3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 110099957
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3S)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 124977592) is [(3S)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3S)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is Cn1ccnc1-c1cncc(C[C@@H]2CCN(C(=O)c3ccccn3)C2)n1.
What is the InChIKey of [(3S)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is LNMTVLYVGNHLCQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N6O/c1-24-9-7-22-18(24)17-12-20-11-15(23-17)10-14-5-8-25(13-14)19(26)16-4-2-3-6-21-16/h2-4,6-7,9,11-12,14H,5,8,10,13H2,1H3/t14-/m0/s1.
What are the key properties of [(3S)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
[(3S)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 348.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 124977592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).