3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide;2,2,2-trifluoroacetic acid

C18H28F3N5O4 — CID 118745366

IUPAC3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)N1CCc2ncc(CN3CCOCC3)n2CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H27N5O2.C2HF3O2/c1-13(2)18-16(22)20-4-3-15-17-11-14(21(15)6-5-20)12-19-7-9-23-10-8-19;3-2(4,5)1(6)7/h11,13H,3-10,12H2,1-2H3,(H,18,22);(H,6,7)
InChIKeyXCQYJDFKVRVOAP-UHFFFAOYSA-N
MW435.45 g/mol
LogP1.32
Rot. Bonds3

About 3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide;2,2,2-trifluoroacetic acid

3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118745366) has the molecular formula C18H28F3N5O4 and a molecular weight of 435.45 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118745366
Molecular FormulaC18H28F3N5O4
Molecular Weight435.45 g/mol
Exact Mass435.21
IUPAC Name3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)N1CCc2ncc(CN3CCOCC3)n2CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H27N5O2.C2HF3O2/c1-13(2)18-16(22)20-4-3-15-17-11-14(21(15)6-5-20)12-19-7-9-23-10-8-19;3-2(4,5)1(6)7/h11,13H,3-10,12H2,1-2H3,(H,18,22);(H,6,7)
InChIKeyXCQYJDFKVRVOAP-UHFFFAOYSA-N
XLogP1.32
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide;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 3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 118745366) is 3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide;2,2,2-trifluoroacetic acid is CC(C)NC(=O)N1CCc2ncc(CN3CCOCC3)n2CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is XCQYJDFKVRVOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2.C2HF3O2/c1-13(2)18-16(22)20-4-3-15-17-11-14(21(15)6-5-20)12-19-7-9-23-10-8-19;3-2(4,5)1(6)7/h11,13H,3-10,12H2,1-2H3,(H,18,22);(H,6,7).
What are the key properties of 3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide;2,2,2-trifluoroacetic acid?
3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 435.45 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118745366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).