[8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(6-methyl-2-pyridinyl)methanone

C18H20N6O — CID 131642566

IUPAC[8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCn3c(Cn4cccn4)cnc3C2C)n1
InChIInChI=1S/C18H20N6O/c1-13-5-3-6-16(21-13)18(25)23-9-10-24-15(11-19-17(24)14(23)2)12-22-8-4-7-20-22/h3-8,11,14H,9-10,12H2,1-2H3
InChIKeyJPEYQXLATOAPEV-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.05
Rot. Bonds3

About [8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(6-methyl-2-pyridinyl)methanone

[8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 131642566) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is [8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID131642566
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name[8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCn3c(Cn4cccn4)cnc3C2C)n1
InChIInChI=1S/C18H20N6O/c1-13-5-3-6-16(21-13)18(25)23-9-10-24-15(11-19-17(24)14(23)2)12-22-8-4-7-20-22/h3-8,11,14H,9-10,12H2,1-2H3
InChIKeyJPEYQXLATOAPEV-UHFFFAOYSA-N
XLogP2.05
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methylfuran-2-yl)-[(8R)-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97384599
8-methyl-7-[(5-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 131643751
[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylpyrazin-2-yl)methanone
CID 97421889
3,5-dimethyl-4-[[(8S)-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
CID 97392186
[3-(2-ethoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrazol-3-yl)methanone
CID 131694496
(6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110462510
[(8S)-8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridin-4-ylmethanone
CID 97384524
2-methyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 79363782
[(8S)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 97421871
(1-methylpyrrol-2-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97384435
N,N,8-trimethyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 131663227
(5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97421931

Frequently Asked Questions

What is the IUPAC name of [8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(6-methyl-2-pyridinyl)methanone (CID 131642566) is [8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CCn3c(Cn4cccn4)cnc3C2C)n1.
What is the InChIKey of [8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is JPEYQXLATOAPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-13-5-3-6-16(21-13)18(25)23-9-10-24-15(11-19-17(24)14(23)2)12-22-8-4-7-20-22/h3-8,11,14H,9-10,12H2,1-2H3.
What are the key properties of [8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(6-methyl-2-pyridinyl)methanone?
[8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 336.40 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 131642566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).