[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone

C22H26N6O — CID 124980349

IUPAC[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCC[C@@H](Cc3cncc(-c4cnc(C)n4C)n3)C2)cn1
InChIInChI=1S/C22H26N6O/c1-15-6-7-18(10-24-15)22(29)28-8-4-5-17(14-28)9-19-11-23-12-20(26-19)21-13-25-16(2)27(21)3/h6-7,10-13,17H,4-5,8-9,14H2,1-3H3/t17-/m0/s1
InChIKeyMIFNACMMMLKXIT-KRWDZBQOSA-N
MW390.49 g/mol
LogP2.98
Rot. Bonds4

About [(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone

[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 124980349) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is [(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID124980349
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCC[C@@H](Cc3cncc(-c4cnc(C)n4C)n3)C2)cn1
InChIInChI=1S/C22H26N6O/c1-15-6-7-18(10-24-15)22(29)28-8-4-5-17(14-28)9-19-11-23-12-20(26-19)21-13-25-16(2)27(21)3/h6-7,10-13,17H,4-5,8-9,14H2,1-3H3/t17-/m0/s1
InChIKeyMIFNACMMMLKXIT-KRWDZBQOSA-N
XLogP2.98
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 125006454
[3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 110110266
[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 125008856
1-[(3R)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 124955333
[4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 110100536
[3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110110265
[(3S)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 124976879
[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124942713
[(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124986992
[(3R)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 125021197
2,2-dimethyl-1-[(3S)-3-[[6-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 125016939
[4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110110580

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 124980349) is [(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CCC[C@@H](Cc3cncc(-c4cnc(C)n4C)n3)C2)cn1.
What is the InChIKey of [(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is MIFNACMMMLKXIT-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N6O/c1-15-6-7-18(10-24-15)22(29)28-8-4-5-17(14-28)9-19-11-23-12-20(26-19)21-13-25-16(2)27(21)3/h6-7,10-13,17H,4-5,8-9,14H2,1-3H3/t17-/m0/s1.
What are the key properties of [(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 390.49 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 124980349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).