(1R,2S)-1-(5-chloropyrimidin-2-yl)-N-(4-cyclopropyl-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl)-1-methoxypropane-2-sulfonamide

C20H21ClN8O3S — CID 134541086

About (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-(4-cyclopropyl-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl)-1-methoxypropane-2-sulfonamide

(1R,2S)-1-(5-chloropyrimidin-2-yl)-N-(4-cyclopropyl-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl)-1-methoxypropane-2-sulfonamide (PubChem CID 134541086) has the molecular formula C20H21ClN8O3S and a molecular weight of 488.96 g/mol. Its IUPAC name is (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-(4-cyclopropyl-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl)-1-methoxypropane-2-sulfonamide.

Molecular Properties

• Compound Name: (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-(4-cyclopropyl-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl)-1-methoxypropane-2-sulfonamide
• PubChem CID: 134541086
• Molecular Formula: C20H21ClN8O3S
• Molecular Weight: 488.96 g/mol
• Exact Mass: 488.11
• IUPAC Name: (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-(4-cyclopropyl-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl)-1-methoxypropane-2-sulfonamide
• SMILES: CO[C@H](c1ncc(Cl)cn1)[C@H](C)S(=O)(=O)Nc1nnc(-c2cnn3ccccc23)n1C1CC1
• InChI: InChI=1S/C20H21ClN8O3S/c1-12(17(32-2)18-22-9-13(21)10-23-18)33(30,31)27-20-26-25-19(29(20)14-6-7-14)15-11-24-28-8-4-3-5-16(15)28/h3-5,8-12,14,17H,6-7H2,1-2H3,(H,26,27)/t12-,17-/m0/s1
• InChIKey: JZYNYTBZGLIDIK-SJCJKPOMSA-N
• XLogP: 2.89
• TPSA: 129.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.96
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-(4-cyclopropyl-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl)-1-methoxypropane-2-sulfonamide?

The IUPAC name of (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-(4-cyclopropyl-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl)-1-methoxypropane-2-sulfonamide (CID 134541086) is (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-(4-cyclopropyl-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl)-1-methoxypropane-2-sulfonamide.

What is the SMILES notation for (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-(4-cyclopropyl-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl)-1-methoxypropane-2-sulfonamide?

The canonical SMILES for (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-(4-cyclopropyl-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl)-1-methoxypropane-2-sulfonamide is CO[C@H](c1ncc(Cl)cn1)[C@H](C)S(=O)(=O)Nc1nnc(-c2cnn3ccccc23)n1C1CC1.

What is the InChIKey of (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-(4-cyclopropyl-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl)-1-methoxypropane-2-sulfonamide?

The InChIKey is JZYNYTBZGLIDIK-SJCJKPOMSA-N. The full InChI is InChI=1S/C20H21ClN8O3S/c1-12(17(32-2)18-22-9-13(21)10-23-18)33(30,31)27-20-26-25-19(29(20)14-6-7-14)15-11-24-28-8-4-3-5-16(15)28/h3-5,8-12,14,17H,6-7H2,1-2H3,(H,26,27)/t12-,17-/m0/s1.

What are the key properties of (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-(4-cyclopropyl-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl)-1-methoxypropane-2-sulfonamide?

(1R,2S)-1-(5-chloropyrimidin-2-yl)-N-(4-cyclopropyl-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl)-1-methoxypropane-2-sulfonamide has a molecular weight of 488.96 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-(4-cyclopropyl-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl)-1-methoxypropane-2-sulfonamide is sourced from PubChem (CID 134541086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).