(3,3-difluorocyclobutyl)-[1-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone

C15H22F2N4O — CID 155873633

IUPAC(3,3-difluorocyclobutyl)-[1-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
SMILESCN(C)Cc1ncn2c1CN(C(=O)C1CC(F)(F)C1)CCC2
InChIInChI=1S/C15H22F2N4O/c1-19(2)8-12-13-9-20(4-3-5-21(13)10-18-12)14(22)11-6-15(16,17)7-11/h10-11H,3-9H2,1-2H3
InChIKeyJZMCIHSURGJYKL-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.72
Rot. Bonds3

About (3,3-difluorocyclobutyl)-[1-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone

(3,3-difluorocyclobutyl)-[1-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone (PubChem CID 155873633) has the molecular formula C15H22F2N4O and a molecular weight of 312.36 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[1-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[1-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
PubChem CID155873633
Molecular FormulaC15H22F2N4O
Molecular Weight312.36 g/mol
Exact Mass312.18
IUPAC Name(3,3-difluorocyclobutyl)-[1-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
SMILESCN(C)Cc1ncn2c1CN(C(=O)C1CC(F)(F)C1)CCC2
InChIInChI=1S/C15H22F2N4O/c1-19(2)8-12-13-9-20(4-3-5-21(13)10-18-12)14(22)11-6-15(16,17)7-11/h10-11H,3-9H2,1-2H3
InChIKeyJZMCIHSURGJYKL-UHFFFAOYSA-N
XLogP1.72
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[8-(2-cyclopropylacetyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]-N-methylacetamide
CID 97519364
1-[[8-(3-Methylbutanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one
CID 97519482
[3-[(Dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1-fluorocyclobutyl)methanone
CID 129555785
[3-[(Dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(3-fluorocyclobutyl)methanone
CID 129555794
(3,3-Difluorocyclobutyl)-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 131681859
(3,3-Difluorocyclobutyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 131683004
8-(3,3-difluorocyclobutanecarbonyl)-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
CID 131690703
1-[[8-(2-Methylpropanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one
CID 97405469
Cyclobutyl-[1-(imidazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 97413598
1-[[8-(2-Ethylbutanoyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one
CID 97519483
N,N-dimethyl-1-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide
CID 97519491
1-(cyclobutylcarbonyl)-4-[(1-ethyl-1H-imidazol-5-yl)methyl]-1,4-diazepane
CID 91838772

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[1-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-[1-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone (CID 155873633) is (3,3-difluorocyclobutyl)-[1-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[1-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-[1-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone is CN(C)Cc1ncn2c1CN(C(=O)C1CC(F)(F)C1)CCC2.
What is the InChIKey of (3,3-difluorocyclobutyl)-[1-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
The InChIKey is JZMCIHSURGJYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O/c1-19(2)8-12-13-9-20(4-3-5-21(13)10-18-12)14(22)11-6-15(16,17)7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of (3,3-difluorocyclobutyl)-[1-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone?
(3,3-difluorocyclobutyl)-[1-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone has a molecular weight of 312.36 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-[1-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone is sourced from PubChem (CID 155873633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).