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

C22H25ClN8O3S — CID 129097596

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

2-amino-N-[1-[8-chloro-5-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129097596) has the molecular formula C22H25ClN8O3S and a molecular weight of 517.02 g/mol. Its IUPAC name is 2-amino-N-[1-[8-chloro-5-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[1-[8-chloro-5-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 129097596
• Molecular Formula: C22H25ClN8O3S
• Molecular Weight: 517.02 g/mol
• Exact Mass: 516.15
• IUPAC Name: 2-amino-N-[1-[8-chloro-5-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(C)C(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCS(=O)(=O)CC1
• InChI: InChI=1S/C22H25ClN8O3S/c1-13(2)18(27-21(32)17-19(24)28-31-5-3-4-26-20(17)31)14-10-15(23)16-11-25-12-30(16)22(14)29-6-8-35(33,34)9-7-29/h3-5,10-13,18H,6-9H2,1-2H3,(H2,24,28)(H,27,32)
• InChIKey: WTEYDAKDFNVQLT-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 139.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.02
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-amino-N-[1-[8-chloro-5-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129097596) is 2-amino-N-[1-[8-chloro-5-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 2-amino-N-[1-[8-chloro-5-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)C(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCS(=O)(=O)CC1.

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

The InChIKey is WTEYDAKDFNVQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN8O3S/c1-13(2)18(27-21(32)17-19(24)28-31-5-3-4-26-20(17)31)14-10-15(23)16-11-25-12-30(16)22(14)29-6-8-35(33,34)9-7-29/h3-5,10-13,18H,6-9H2,1-2H3,(H2,24,28)(H,27,32).

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

2-amino-N-[1-[8-chloro-5-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 517.02 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-[8-chloro-5-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129097596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).