1-[(6S)-6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-pyridin-2-ylethanone

C19H27N5O — CID 97462730

IUPAC1-[(6S)-6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-pyridin-2-ylethanone
SMILESCCN(CC)C[C@@H]1CN(C(=O)Cc2ccccn2)Cc2nccn2C1
InChIInChI=1S/C19H27N5O/c1-3-22(4-2)12-16-13-23-10-9-21-18(23)15-24(14-16)19(25)11-17-7-5-6-8-20-17/h5-10,16H,3-4,11-15H2,1-2H3/t16-/m0/s1
InChIKeyQLWIABBYEYOZPF-INIZCTEOSA-N
MW341.46 g/mol
LogP1.82
Rot. Bonds6

About 1-[(6S)-6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-pyridin-2-ylethanone

1-[(6S)-6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-pyridin-2-ylethanone (PubChem CID 97462730) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[(6S)-6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[(6S)-6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-pyridin-2-ylethanone
PubChem CID97462730
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-[(6S)-6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-pyridin-2-ylethanone
SMILESCCN(CC)C[C@@H]1CN(C(=O)Cc2ccccn2)Cc2nccn2C1
InChIInChI=1S/C19H27N5O/c1-3-22(4-2)12-16-13-23-10-9-21-18(23)15-24(14-16)19(25)11-17-7-5-6-8-20-17/h5-10,16H,3-4,11-15H2,1-2H3/t16-/m0/s1
InChIKeyQLWIABBYEYOZPF-INIZCTEOSA-N
XLogP1.82
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(6S)-6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-pyridin-2-ylethanone with MolForge

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Related Compounds

2-cyclopropyl-1-[6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 134069047
1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone
CID 97467329
1-[6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-ethoxyethanone
CID 118739501
N-[(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]-N-ethylethanamine
CID 134069048
1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
CID 106671158
N-ethyl-N-[[8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine
CID 133139689
N-cyclopropyl-6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 131659172
N-ethyl-N-[[(6R)-8-(thiophen-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine
CID 97462718
1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 79993365
1-[7-(diethylaminomethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-(2-fluorophenyl)ethanone
CID 131642486
3-phenyl-1-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]propan-1-one
CID 131663640
1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone
CID 112534802

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[(6S)-6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-pyridin-2-ylethanone (CID 97462730) is 1-[(6S)-6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[(6S)-6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[(6S)-6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-pyridin-2-ylethanone is CCN(CC)C[C@@H]1CN(C(=O)Cc2ccccn2)Cc2nccn2C1.
What is the InChIKey of 1-[(6S)-6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-pyridin-2-ylethanone?
The InChIKey is QLWIABBYEYOZPF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N5O/c1-3-22(4-2)12-16-13-23-10-9-21-18(23)15-24(14-16)19(25)11-17-7-5-6-8-20-17/h5-10,16H,3-4,11-15H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[(6S)-6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-pyridin-2-ylethanone?
1-[(6S)-6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-pyridin-2-ylethanone has a molecular weight of 341.46 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 97462730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).