7-(cyclopropylmethoxy)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid

C19H22F3N7O3 — CID 155840922

About 7-(cyclopropylmethoxy)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid

7-(cyclopropylmethoxy)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid (PubChem CID 155840922) has the molecular formula C19H22F3N7O3 and a molecular weight of 453.43 g/mol. Its IUPAC name is 7-(cyclopropylmethoxy)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 7-(cyclopropylmethoxy)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
• PubChem CID: 155840922
• Molecular Formula: C19H22F3N7O3
• Molecular Weight: 453.43 g/mol
• Exact Mass: 453.17
• IUPAC Name: 7-(cyclopropylmethoxy)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
• SMILES: Cc1cc(N2Cc3ccnn3CC(OCC3CC3)C2)n2ncnc2n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H21N7O.C2HF3O2/c1-12-6-16(24-17(21-12)18-11-20-24)22-7-14-4-5-19-23(14)9-15(8-22)25-10-13-2-3-13;3-2(4,5)1(6)7/h4-6,11,13,15H,2-3,7-10H2,1H3;(H,6,7)
• InChIKey: WGDUIOQHESAXTO-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 110.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.43
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethoxy)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid?

The IUPAC name of 7-(cyclopropylmethoxy)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid (CID 155840922) is 7-(cyclopropylmethoxy)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 7-(cyclopropylmethoxy)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid?

The canonical SMILES for 7-(cyclopropylmethoxy)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid is Cc1cc(N2Cc3ccnn3CC(OCC3CC3)C2)n2ncnc2n1.O=C(O)C(F)(F)F.

What is the InChIKey of 7-(cyclopropylmethoxy)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid?

The InChIKey is WGDUIOQHESAXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O.C2HF3O2/c1-12-6-16(24-17(21-12)18-11-20-24)22-7-14-4-5-19-23(14)9-15(8-22)25-10-13-2-3-13;3-2(4,5)1(6)7/h4-6,11,13,15H,2-3,7-10H2,1H3;(H,6,7).

What are the key properties of 7-(cyclopropylmethoxy)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid?

7-(cyclopropylmethoxy)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid has a molecular weight of 453.43 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(cyclopropylmethoxy)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155840922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).