[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone

C17H24N6O — CID 138808982

IUPAC[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cnc(C)c(N2CCCN(C(=O)c3cc(C)n(C)n3)CC2)n1
InChIInChI=1S/C17H24N6O/c1-12-11-18-14(3)16(19-12)22-6-5-7-23(9-8-22)17(24)15-10-13(2)21(4)20-15/h10-11H,5-9H2,1-4H3
InChIKeyZIMDTSVEHDBXOJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.49
Rot. Bonds2

About [4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone

[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone (PubChem CID 138808982) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is [4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
PubChem CID138808982
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cnc(C)c(N2CCCN(C(=O)c3cc(C)n(C)n3)CC2)n1
InChIInChI=1S/C17H24N6O/c1-12-11-18-14(3)16(19-12)22-6-5-7-23(9-8-22)17(24)15-10-13(2)21(4)20-15/h10-11H,5-9H2,1-4H3
InChIKeyZIMDTSVEHDBXOJ-UHFFFAOYSA-N
XLogP1.49
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone with MolForge

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Related Compounds

5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one
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[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
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CID 139598620
cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
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(1,5-dimethylpyrazol-3-yl)-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 91945365
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CID 24734638
(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828
(1,5-dimethylpyrazol-3-yl)-[4-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)-1,4-diazepan-1-yl]methanone
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2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-6-methylpyran-4-one
CID 77082199
(1,5-dimethylpyrazol-3-yl)-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of [4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone (CID 138808982) is [4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone is Cc1cnc(C)c(N2CCCN(C(=O)c3cc(C)n(C)n3)CC2)n1.
What is the InChIKey of [4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is ZIMDTSVEHDBXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12-11-18-14(3)16(19-12)22-6-5-7-23(9-8-22)17(24)15-10-13(2)21(4)20-15/h10-11H,5-9H2,1-4H3.
What are the key properties of [4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 138808982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).