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

C15H22F2N4O — CID 131681859

IUPAC(3,3-difluorocyclobutyl)-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
SMILESCN(C)Cc1cnc2n1CCN(C(=O)C1CC(F)(F)C1)CC2
InChIInChI=1S/C15H22F2N4O/c1-19(2)10-12-9-18-13-3-4-20(5-6-21(12)13)14(22)11-7-15(16,17)8-11/h9,11H,3-8,10H2,1-2H3
InChIKeyLMECBQGIVBUQSH-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.37
Rot. Bonds3

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

(3,3-difluorocyclobutyl)-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone (PubChem CID 131681859) has the molecular formula C15H22F2N4O and a molecular weight of 312.36 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
PubChem CID131681859
Molecular FormulaC15H22F2N4O
Molecular Weight312.36 g/mol
Exact Mass312.18
IUPAC Name(3,3-difluorocyclobutyl)-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
SMILESCN(C)Cc1cnc2n1CCN(C(=O)C1CC(F)(F)C1)CC2
InChIInChI=1S/C15H22F2N4O/c1-19(2)10-12-9-18-13-3-4-20(5-6-21(12)13)14(22)11-7-15(16,17)8-11/h9,11H,3-8,10H2,1-2H3
InChIKeyLMECBQGIVBUQSH-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2-Cyclopropylacetyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
CID 97467200
N-[[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]cyclobutanecarboxamide
CID 97467207
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
Cyclopent-3-en-1-yl-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 98614601
N-[2-(5-Methyl-1-propyl-1H-imidazol-2-YL)ethyl]cyclobutanecarboxamide
CID 124078803
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]cyclobutanecarboxamide
CID 60311760
(3-Fluorocyclobutyl)-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 129555782
(3,3-Difluorocyclobutyl)-[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 129555784
[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

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone (CID 131681859) is (3,3-difluorocyclobutyl)-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone is CN(C)Cc1cnc2n1CCN(C(=O)C1CC(F)(F)C1)CC2.
What is the InChIKey of (3,3-difluorocyclobutyl)-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
The InChIKey is LMECBQGIVBUQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O/c1-19(2)10-12-9-18-13-3-4-20(5-6-21(12)13)14(22)11-7-15(16,17)8-11/h9,11H,3-8,10H2,1-2H3.
What are the key properties of (3,3-difluorocyclobutyl)-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
(3,3-difluorocyclobutyl)-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone has a molecular weight of 312.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone is sourced from PubChem (CID 131681859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).