N-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

C19H16F3N7O3S — CID 177236448

About N-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

N-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 177236448) has the molecular formula C19H16F3N7O3S and a molecular weight of 479.44 g/mol. Its IUPAC name is N-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 177236448
• Molecular Formula: C19H16F3N7O3S
• Molecular Weight: 479.44 g/mol
• Exact Mass: 479.10
• IUPAC Name: N-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
• SMILES: CCS(=O)(=O)c1nn2c(C(=O)NC3CC3)ccnc2c1-c1nc2ccc(C(F)(F)F)cn2n1
• InChI: InChI=1S/C19H16F3N7O3S/c1-2-33(31,32)18-14(15-25-13-6-3-10(19(20,21)22)9-28(13)26-15)16-23-8-7-12(29(16)27-18)17(30)24-11-4-5-11/h3,6-9,11H,2,4-5H2,1H3,(H,24,30)
• InChIKey: ZGBMTVZGSWWOHD-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 123.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.44
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The IUPAC name of N-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 177236448) is N-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.

What is the SMILES notation for N-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The canonical SMILES for N-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is CCS(=O)(=O)c1nn2c(C(=O)NC3CC3)ccnc2c1-c1nc2ccc(C(F)(F)F)cn2n1.

What is the InChIKey of N-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The InChIKey is ZGBMTVZGSWWOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7O3S/c1-2-33(31,32)18-14(15-25-13-6-3-10(19(20,21)22)9-28(13)26-15)16-23-8-7-12(29(16)27-18)17(30)24-11-4-5-11/h3,6-9,11H,2,4-5H2,1H3,(H,24,30).

What are the key properties of N-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?

N-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 479.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 177236448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).