2-methylpropyl N-[2-ethylsulfonyl-6-methyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]-N-methoxycarbamate

C24H26F3N7O6S — CID 177236044

About 2-methylpropyl N-[2-ethylsulfonyl-6-methyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]-N-methoxycarbamate

2-methylpropyl N-[2-ethylsulfonyl-6-methyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]-N-methoxycarbamate (PubChem CID 177236044) has the molecular formula C24H26F3N7O6S and a molecular weight of 597.58 g/mol. Its IUPAC name is 2-methylpropyl N-[2-ethylsulfonyl-6-methyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]-N-methoxycarbamate.

Molecular Properties

• Compound Name: 2-methylpropyl N-[2-ethylsulfonyl-6-methyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]-N-methoxycarbamate
• PubChem CID: 177236044
• Molecular Formula: C24H26F3N7O6S
• Molecular Weight: 597.58 g/mol
• Exact Mass: 597.16
• IUPAC Name: 2-methylpropyl N-[2-ethylsulfonyl-6-methyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]-N-methoxycarbamate
• SMILES: CCS(=O)(=O)c1nn2c(C(=O)N(OC)C(=O)OCC(C)C)c(C)cnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C
• InChI: InChI=1S/C24H26F3N7O6S/c1-7-41(37,38)21-16(20-30-15-8-14(24(25,26)27)10-29-18(15)32(20)5)19-28-9-13(4)17(33(19)31-21)22(35)34(39-6)23(36)40-11-12(2)3/h8-10,12H,7,11H2,1-6H3
• InChIKey: IGPJDPOIBYYONZ-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 150.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.58
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[2-ethylsulfonyl-6-methyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]-N-methoxycarbamate?

The IUPAC name of 2-methylpropyl N-[2-ethylsulfonyl-6-methyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]-N-methoxycarbamate (CID 177236044) is 2-methylpropyl N-[2-ethylsulfonyl-6-methyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]-N-methoxycarbamate.

What is the SMILES notation for 2-methylpropyl N-[2-ethylsulfonyl-6-methyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]-N-methoxycarbamate?

The canonical SMILES for 2-methylpropyl N-[2-ethylsulfonyl-6-methyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]-N-methoxycarbamate is CCS(=O)(=O)c1nn2c(C(=O)N(OC)C(=O)OCC(C)C)c(C)cnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C.

What is the InChIKey of 2-methylpropyl N-[2-ethylsulfonyl-6-methyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]-N-methoxycarbamate?

The InChIKey is IGPJDPOIBYYONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N7O6S/c1-7-41(37,38)21-16(20-30-15-8-14(24(25,26)27)10-29-18(15)32(20)5)19-28-9-13(4)17(33(19)31-21)22(35)34(39-6)23(36)40-11-12(2)3/h8-10,12H,7,11H2,1-6H3.

What are the key properties of 2-methylpropyl N-[2-ethylsulfonyl-6-methyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]-N-methoxycarbamate?

2-methylpropyl N-[2-ethylsulfonyl-6-methyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]-N-methoxycarbamate has a molecular weight of 597.58 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylpropyl N-[2-ethylsulfonyl-6-methyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]-N-methoxycarbamate is sourced from PubChem (CID 177236044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).