2-cyclopropyl-1-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone

C15H24N4O — CID 97466964

IUPAC2-cyclopropyl-1-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone
SMILESCN(C)Cc1cnc2n1CCN(C(=O)CC1CC1)CC2
InChIInChI=1S/C15H24N4O/c1-17(2)11-13-10-16-14-5-6-18(7-8-19(13)14)15(20)9-12-3-4-12/h10,12H,3-9,11H2,1-2H3
InChIKeyKYQGZJHMBZSEGV-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.13
Rot. Bonds4

About 2-cyclopropyl-1-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone

2-cyclopropyl-1-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone (PubChem CID 97466964) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone
PubChem CID97466964
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-cyclopropyl-1-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone
SMILESCN(C)Cc1cnc2n1CCN(C(=O)CC1CC1)CC2
InChIInChI=1S/C15H24N4O/c1-17(2)11-13-10-16-14-5-6-18(7-8-19(13)14)15(20)9-12-3-4-12/h10,12H,3-9,11H2,1-2H3
InChIKeyKYQGZJHMBZSEGV-UHFFFAOYSA-N
XLogP1.13
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-1-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2-cyclopropylacetyl)amino]methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 97382117
Oxan-4-yl-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 97467045
2-Cyclopropyl-1-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone
CID 97467064
2-Cyclopropyl-1-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone
CID 97467153
3-[[(2-Cyclopropylacetyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
CID 97467200
N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]cyclobutanecarboxamide
CID 97467210
N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide
CID 97467211
N-[(7-methylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide
CID 97467212
N-[[8-(2-cyclopropylacetyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]-N-methylacetamide
CID 97519364
Cyclopent-3-en-1-yl-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 98614601
8-N-cyclopentyl-6-N-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-6,8-dicarboxamide
CID 118740799
1-[3-[[1-(Cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110198069

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone (CID 97466964) is 2-cyclopropyl-1-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone is CN(C)Cc1cnc2n1CCN(C(=O)CC1CC1)CC2.
What is the InChIKey of 2-cyclopropyl-1-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone?
The InChIKey is KYQGZJHMBZSEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-17(2)11-13-10-16-14-5-6-18(7-8-19(13)14)15(20)9-12-3-4-12/h10,12H,3-9,11H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone?
2-cyclopropyl-1-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone is sourced from PubChem (CID 97466964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).