[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone

C17H24N6O — CID 124978300

IUPAC[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCNc1cnc(C[C@@H]2CCCN(C(=O)c3ccn(C)n3)CC2)cn1
InChIInChI=1S/C17H24N6O/c1-18-16-12-19-14(11-20-16)10-13-4-3-7-23(9-5-13)17(24)15-6-8-22(2)21-15/h6,8,11-13H,3-5,7,9-10H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyLSWYBMLCZPKQFG-CYBMUJFWSA-N
MW328.42 g/mol
LogP1.74
Rot. Bonds4

About [(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone

[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 124978300) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is [(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID124978300
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCNc1cnc(C[C@@H]2CCCN(C(=O)c3ccn(C)n3)CC2)cn1
InChIInChI=1S/C17H24N6O/c1-18-16-12-19-14(11-20-16)10-13-4-3-7-23(9-5-13)17(24)15-6-8-22(2)21-15/h6,8,11-13H,3-5,7,9-10H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyLSWYBMLCZPKQFG-CYBMUJFWSA-N
XLogP1.74
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone with MolForge

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Related Compounds

[(4S)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 124952207
[4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110112663
[(6S)-6-[[5-(methylamino)pyrazin-2-yl]methyl]-1,4-oxazepan-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 95848046
[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 125012331
[(4S)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 125012330
(3,5-dimethyl-1,2-oxazol-4-yl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone
CID 124961524
(2-methoxy-3-pyridinyl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone
CID 124994351
(3-methoxyphenyl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone
CID 124954356
2-(2-ethylimidazol-1-yl)-1-[(4S)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]ethanone
CID 124977233
1-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 125002793
1-[(4S)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 125002794
1-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-2-thiophen-2-ylethanone
CID 125016444

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 124978300) is [(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone is CNc1cnc(C[C@@H]2CCCN(C(=O)c3ccn(C)n3)CC2)cn1.
What is the InChIKey of [(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is LSWYBMLCZPKQFG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N6O/c1-18-16-12-19-14(11-20-16)10-13-4-3-7-23(9-5-13)17(24)15-6-8-22(2)21-15/h6,8,11-13H,3-5,7,9-10H2,1-2H3,(H,18,20)/t13-/m1/s1.
What are the key properties of [(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone?
[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 124978300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).