2-cyclopropyl-N-[[7-[2-[methyl(propan-2-yl)amino]acetyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid

C21H32F3N5O4 — CID 155865068

About 2-cyclopropyl-N-[[7-[2-[methyl(propan-2-yl)amino]acetyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid

2-cyclopropyl-N-[[7-[2-[methyl(propan-2-yl)amino]acetyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155865068) has the molecular formula C21H32F3N5O4 and a molecular weight of 475.51 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[7-[2-[methyl(propan-2-yl)amino]acetyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[[7-[2-[methyl(propan-2-yl)amino]acetyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155865068
• Molecular Formula: C21H32F3N5O4
• Molecular Weight: 475.51 g/mol
• Exact Mass: 475.24
• IUPAC Name: 2-cyclopropyl-N-[[7-[2-[methyl(propan-2-yl)amino]acetyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
• SMILES: CC(C)N(C)CC(=O)N1CCc2ncc(CNC(=O)CC3CC3)n2CC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H31N5O2.C2HF3O2/c1-14(2)22(3)13-19(26)23-7-6-17-20-11-16(24(17)9-8-23)12-21-18(25)10-15-4-5-15;3-2(4,5)1(6)7/h11,14-15H,4-10,12-13H2,1-3H3,(H,21,25);(H,6,7)
• InChIKey: MFVFLYVHOARQIT-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 107.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.51
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[7-[2-[methyl(propan-2-yl)amino]acetyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-cyclopropyl-N-[[7-[2-[methyl(propan-2-yl)amino]acetyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid (CID 155865068) is 2-cyclopropyl-N-[[7-[2-[methyl(propan-2-yl)amino]acetyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-cyclopropyl-N-[[7-[2-[methyl(propan-2-yl)amino]acetyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-cyclopropyl-N-[[7-[2-[methyl(propan-2-yl)amino]acetyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid is CC(C)N(C)CC(=O)N1CCc2ncc(CNC(=O)CC3CC3)n2CC1.O=C(O)C(F)(F)F.

What is the InChIKey of 2-cyclopropyl-N-[[7-[2-[methyl(propan-2-yl)amino]acetyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?

The InChIKey is MFVFLYVHOARQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2.C2HF3O2/c1-14(2)22(3)13-19(26)23-7-6-17-20-11-16(24(17)9-8-23)12-21-18(25)10-15-4-5-15;3-2(4,5)1(6)7/h11,14-15H,4-10,12-13H2,1-3H3,(H,21,25);(H,6,7).

What are the key properties of 2-cyclopropyl-N-[[7-[2-[methyl(propan-2-yl)amino]acetyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?

2-cyclopropyl-N-[[7-[2-[methyl(propan-2-yl)amino]acetyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 475.51 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[[7-[2-[methyl(propan-2-yl)amino]acetyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155865068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).