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

C18H26F3N5O5 — CID 155838840

IUPACN-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)NCC(=O)N1Cc2nccn2CC(CN2CCOCC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N5O3.C2HF3O2/c1-13(22)18-8-16(23)21-11-14(9-19-4-6-24-7-5-19)10-20-3-2-17-15(20)12-21;3-2(4,5)1(6)7/h2-3,14H,4-12H2,1H3,(H,18,22);(H,6,7)
InChIKeyZLNMQIWDYXETRD-UHFFFAOYSA-N
MW449.43 g/mol
LogP-0.06
Rot. Bonds4

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

N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155838840) has the molecular formula C18H26F3N5O5 and a molecular weight of 449.43 g/mol. Its IUPAC name is N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID155838840
Molecular FormulaC18H26F3N5O5
Molecular Weight449.43 g/mol
Exact Mass449.19
IUPAC NameN-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)NCC(=O)N1Cc2nccn2CC(CN2CCOCC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N5O3.C2HF3O2/c1-13(22)18-8-16(23)21-11-14(9-19-4-6-24-7-5-19)10-20-3-2-17-15(20)12-21;3-2(4,5)1(6)7/h2-3,14H,4-12H2,1H3,(H,18,22);(H,6,7)
InChIKeyZLNMQIWDYXETRD-UHFFFAOYSA-N
XLogP-0.06
TPSA117.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.43
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid
CID 118744937
2-Ethoxy-1-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118744939
4-[[8-(Cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 118746953
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 60500394
2-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 115641672
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-imidazol-1-ylpropyl)acetamide;bis(2,2,2-trifluoroacetic acid)
CID 154888959
4-[[8-(Oxolan-3-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155831236
2-Ethoxy-1-[6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
CID 155834319
6-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155844220
6-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide;2,2,2-trifluoroacetic acid
CID 155853651
1-[4-[(1-Methylimidazol-2-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155857001
(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

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid (CID 155838840) is N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid is CC(=O)NCC(=O)N1Cc2nccn2CC(CN2CCOCC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZLNMQIWDYXETRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3.C2HF3O2/c1-13(22)18-8-16(23)21-11-14(9-19-4-6-24-7-5-19)10-20-3-2-17-15(20)12-21;3-2(4,5)1(6)7/h2-3,14H,4-12H2,1H3,(H,18,22);(H,6,7).
What are the key properties of N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid?
N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 449.43 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155838840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).