(1-fluorocyclobutyl)-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone;2,2,2-trifluoroacetic acid

C19H26F4N4O4 — CID 155865239

IUPAC(1-fluorocyclobutyl)-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(N1Cc2nccn2CC(CN2CCOCC2)C1)C1(F)CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25FN4O2.C2HF3O2/c18-17(2-1-3-17)16(23)22-12-14(10-20-6-8-24-9-7-20)11-21-5-4-19-15(21)13-22;3-2(4,5)1(6)7/h4-5,14H,1-3,6-13H2;(H,6,7)
InChIKeyDICAZSJUUYFZSX-UHFFFAOYSA-N
MW450.43 g/mol
LogP1.70
Rot. Bonds3

About (1-fluorocyclobutyl)-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone;2,2,2-trifluoroacetic acid

(1-fluorocyclobutyl)-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155865239) has the molecular formula C19H26F4N4O4 and a molecular weight of 450.43 g/mol. Its IUPAC name is (1-fluorocyclobutyl)-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(1-fluorocyclobutyl)-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155865239
Molecular FormulaC19H26F4N4O4
Molecular Weight450.43 g/mol
Exact Mass450.19
IUPAC Name(1-fluorocyclobutyl)-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(N1Cc2nccn2CC(CN2CCOCC2)C1)C1(F)CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25FN4O2.C2HF3O2/c18-17(2-1-3-17)16(23)22-12-14(10-20-6-8-24-9-7-20)11-21-5-4-19-15(21)13-22;3-2(4,5)1(6)7/h4-5,14H,1-3,6-13H2;(H,6,7)
InChIKeyDICAZSJUUYFZSX-UHFFFAOYSA-N
XLogP1.70
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1-fluorocyclobutyl)-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone;2,2,2-trifluoroacetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclobutyl)-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (1-fluorocyclobutyl)-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone;2,2,2-trifluoroacetic acid (CID 155865239) is (1-fluorocyclobutyl)-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (1-fluorocyclobutyl)-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (1-fluorocyclobutyl)-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone;2,2,2-trifluoroacetic acid is O=C(N1Cc2nccn2CC(CN2CCOCC2)C1)C1(F)CCC1.O=C(O)C(F)(F)F.
What is the InChIKey of (1-fluorocyclobutyl)-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is DICAZSJUUYFZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O2.C2HF3O2/c18-17(2-1-3-17)16(23)22-12-14(10-20-6-8-24-9-7-20)11-21-5-4-19-15(21)13-22;3-2(4,5)1(6)7/h4-5,14H,1-3,6-13H2;(H,6,7).
What are the key properties of (1-fluorocyclobutyl)-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone;2,2,2-trifluoroacetic acid?
(1-fluorocyclobutyl)-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 450.43 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclobutyl)-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155865239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).