[(4R)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyridazin-4-ylmethanone

C18H24N6O — CID 124988881

IUPAC[(4R)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyridazin-4-ylmethanone
SMILESCN(C)c1cnc(C[C@@H]2CCCN(C(=O)c3ccnnc3)CC2)cn1
InChIInChI=1S/C18H24N6O/c1-23(2)17-13-19-16(12-20-17)10-14-4-3-8-24(9-6-14)18(25)15-5-7-21-22-11-15/h5,7,11-14H,3-4,6,8-10H2,1-2H3/t14-/m1/s1
InChIKeyOQDFSAOPOADYFX-CQSZACIVSA-N
MW340.43 g/mol
LogP1.82
Rot. Bonds4

About [(4R)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyridazin-4-ylmethanone

[(4R)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyridazin-4-ylmethanone (PubChem CID 124988881) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is [(4R)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(4R)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyridazin-4-ylmethanone
PubChem CID124988881
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name[(4R)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyridazin-4-ylmethanone
SMILESCN(C)c1cnc(C[C@@H]2CCCN(C(=O)c3ccnnc3)CC2)cn1
InChIInChI=1S/C18H24N6O/c1-23(2)17-13-19-16(12-20-17)10-14-4-3-8-24(9-6-14)18(25)15-5-7-21-22-11-15/h5,7,11-14H,3-4,6,8-10H2,1-2H3/t14-/m1/s1
InChIKeyOQDFSAOPOADYFX-CQSZACIVSA-N
XLogP1.82
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(4R)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyridazin-4-ylmethanone with MolForge

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Related Compounds

[4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyrazin-2-ylmethanone
CID 110112744
[(4S)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-thiophen-2-ylmethanone
CID 124943319
[(4S)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124939718
[4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 110119168
1-[(4S)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-2-imidazol-1-ylethanone
CID 124949477
pyridazin-4-yl-[(4S)-4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
CID 125000665
[4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 110116877
[4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104672545
[3-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104672520
(3-methoxyphenyl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone
CID 124954356
[(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

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(4R)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyridazin-4-ylmethanone (CID 124988881) is [(4R)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(4R)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(4R)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyridazin-4-ylmethanone is CN(C)c1cnc(C[C@@H]2CCCN(C(=O)c3ccnnc3)CC2)cn1.
What is the InChIKey of [(4R)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyridazin-4-ylmethanone?
The InChIKey is OQDFSAOPOADYFX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N6O/c1-23(2)17-13-19-16(12-20-17)10-14-4-3-8-24(9-6-14)18(25)15-5-7-21-22-11-15/h5,7,11-14H,3-4,6,8-10H2,1-2H3/t14-/m1/s1.
What are the key properties of [(4R)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyridazin-4-ylmethanone?
[(4R)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 340.43 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 124988881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).