2-amino-N-[[8-chloro-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde

C22H22ClF3N8O4S — CID 159588660

About 2-amino-N-[[8-chloro-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde

2-amino-N-[[8-chloro-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde (PubChem CID 159588660) has the molecular formula C22H22ClF3N8O4S and a molecular weight of 586.98 g/mol. Its IUPAC name is 2-amino-N-[[8-chloro-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 2-amino-N-[[8-chloro-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde
• PubChem CID: 159588660
• Molecular Formula: C22H22ClF3N8O4S
• Molecular Weight: 586.98 g/mol
• Exact Mass: 586.11
• IUPAC Name: 2-amino-N-[[8-chloro-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde
• SMILES: CC1CN(c2c(CNC(=O)c3c(N)nn4cccnc34)cc(Cl)c3cncn23)CCS1(=O)=O.O=CC(F)(F)F
• InChI: InChI=1S/C20H21ClN8O3S.C2HF3O/c1-12-10-27(5-6-33(12,31)32)20-13(7-14(21)15-9-23-11-28(15)20)8-25-19(30)16-17(22)26-29-4-2-3-24-18(16)29;3-2(4,5)1-6/h2-4,7,9,11-12H,5-6,8,10H2,1H3,(H2,22,26)(H,25,30);1H
• InChIKey: MJYLKJHJDGJHHH-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 157.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.98
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[8-chloro-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 2-amino-N-[[8-chloro-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde (CID 159588660) is 2-amino-N-[[8-chloro-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 2-amino-N-[[8-chloro-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 2-amino-N-[[8-chloro-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde is CC1CN(c2c(CNC(=O)c3c(N)nn4cccnc34)cc(Cl)c3cncn23)CCS1(=O)=O.O=CC(F)(F)F.

What is the InChIKey of 2-amino-N-[[8-chloro-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde?

The InChIKey is MJYLKJHJDGJHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN8O3S.C2HF3O/c1-12-10-27(5-6-33(12,31)32)20-13(7-14(21)15-9-23-11-28(15)20)8-25-19(30)16-17(22)26-29-4-2-3-24-18(16)29;3-2(4,5)1-6/h2-4,7,9,11-12H,5-6,8,10H2,1H3,(H2,22,26)(H,25,30);1H.

What are the key properties of 2-amino-N-[[8-chloro-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde?

2-amino-N-[[8-chloro-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde has a molecular weight of 586.98 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[[8-chloro-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 159588660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).