[(6R)-6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyridazin-4-ylmethanone

C17H24N6O — CID 97389260

IUPAC[(6R)-6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyridazin-4-ylmethanone
SMILESCC(C)N(C)C[C@H]1CN(C(=O)c2ccnnc2)Cc2nccn2C1
InChIInChI=1S/C17H24N6O/c1-13(2)21(3)9-14-10-22-7-6-18-16(22)12-23(11-14)17(24)15-4-5-19-20-8-15/h4-8,13-14H,9-12H2,1-3H3/t14-/m1/s1
InChIKeyAIDDXMLYODNMCR-CQSZACIVSA-N
MW328.42 g/mol
LogP1.29
Rot. Bonds4

About [(6R)-6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyridazin-4-ylmethanone

[(6R)-6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyridazin-4-ylmethanone (PubChem CID 97389260) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is [(6R)-6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(6R)-6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyridazin-4-ylmethanone
PubChem CID97389260
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name[(6R)-6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyridazin-4-ylmethanone
SMILESCC(C)N(C)C[C@H]1CN(C(=O)c2ccnnc2)Cc2nccn2C1
InChIInChI=1S/C17H24N6O/c1-13(2)21(3)9-14-10-22-7-6-18-16(22)12-23(11-14)17(24)15-4-5-19-20-8-15/h4-8,13-14H,9-12H2,1-3H3/t14-/m1/s1
InChIKeyAIDDXMLYODNMCR-CQSZACIVSA-N
XLogP1.29
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(6R)-6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyridazin-4-ylmethanone with MolForge

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Related Compounds

(4-methylcyclohexyl)-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 131681830
(5-methyl-1,2-oxazol-3-yl)-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 131658422
N-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide
CID 118744938
1-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-3-(1H-pyrrol-2-yl)propan-1-one
CID 131682161
6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 131646208
N-methyl-N-[[8-(2-phenylethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155844690
[6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 131660494
1-[6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-ethoxyethanone
CID 118739501
N-methyl-N-[[(6R)-8-[[(3S)-oxolan-3-yl]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]propan-2-amine
CID 124521561
2-cyclopropyl-1-[6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 134069047
furan-3-yl-[(6R)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 97462802
1-[(6S)-6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-pyridin-2-ylethanone
CID 97462730

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(6R)-6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyridazin-4-ylmethanone (CID 97389260) is [(6R)-6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(6R)-6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(6R)-6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyridazin-4-ylmethanone is CC(C)N(C)C[C@H]1CN(C(=O)c2ccnnc2)Cc2nccn2C1.
What is the InChIKey of [(6R)-6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyridazin-4-ylmethanone?
The InChIKey is AIDDXMLYODNMCR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13(2)21(3)9-14-10-22-7-6-18-16(22)12-23(11-14)17(24)15-4-5-19-20-8-15/h4-8,13-14H,9-12H2,1-3H3/t14-/m1/s1.
What are the key properties of [(6R)-6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyridazin-4-ylmethanone?
[(6R)-6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyridazin-4-ylmethanone has a molecular weight of 328.42 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 97389260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).