[2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone

C18H18N6O — CID 110110574

IUPAC[2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCCC2c2nccnc2-c2ncc[nH]2)cn1
InChIInChI=1S/C18H18N6O/c1-12-4-5-13(11-23-12)18(25)24-10-2-3-14(24)15-16(20-7-6-19-15)17-21-8-9-22-17/h4-9,11,14H,2-3,10H2,1H3,(H,21,22)
InChIKeyDHWMEJKRXHRWSC-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.55
Rot. Bonds3

About [2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone

[2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 110110574) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is [2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID110110574
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name[2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCCC2c2nccnc2-c2ncc[nH]2)cn1
InChIInChI=1S/C18H18N6O/c1-12-4-5-13(11-23-12)18(25)24-10-2-3-14(24)15-16(20-7-6-19-15)17-21-8-9-22-17/h4-9,11,14H,2-3,10H2,1H3,(H,21,22)
InChIKeyDHWMEJKRXHRWSC-UHFFFAOYSA-N
XLogP2.55
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone
CID 110099808
(6-methyl-3-pyridinyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 10058742
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 51331975
(6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 29284515
[2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110099796
(6-methyl-3-pyridinyl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 129491309
[(2S)-2-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone
CID 124998253
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 62468426
[(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124986992
tert-butyl (2S)-1-(6-methylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 80999359
2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid
CID 54899855
(3-methyl-2-methylsulfanylazepan-1-yl)-(6-methyl-3-pyridinyl)methanone
CID 166876433

Frequently Asked Questions

What is the IUPAC name of [2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 110110574) is [2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CCCC2c2nccnc2-c2ncc[nH]2)cn1.
What is the InChIKey of [2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is DHWMEJKRXHRWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-12-4-5-13(11-23-12)18(25)24-10-2-3-14(24)15-16(20-7-6-19-15)17-21-8-9-22-17/h4-9,11,14H,2-3,10H2,1H3,(H,21,22).
What are the key properties of [2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
[2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 334.38 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 110110574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).