1-(5-chloropyrimidin-2-yl)-N-[4-(4,6-dimethoxypyrimidin-5-yl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide

C23H23ClN10O5S — CID 134541739

About 1-(5-chloropyrimidin-2-yl)-N-[4-(4,6-dimethoxypyrimidin-5-yl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide

1-(5-chloropyrimidin-2-yl)-N-[4-(4,6-dimethoxypyrimidin-5-yl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide (PubChem CID 134541739) has the molecular formula C23H23ClN10O5S and a molecular weight of 587.02 g/mol. Its IUPAC name is 1-(5-chloropyrimidin-2-yl)-N-[4-(4,6-dimethoxypyrimidin-5-yl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide.

Molecular Properties

• Compound Name: 1-(5-chloropyrimidin-2-yl)-N-[4-(4,6-dimethoxypyrimidin-5-yl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide
• PubChem CID: 134541739
• Molecular Formula: C23H23ClN10O5S
• Molecular Weight: 587.02 g/mol
• Exact Mass: 586.13
• IUPAC Name: 1-(5-chloropyrimidin-2-yl)-N-[4-(4,6-dimethoxypyrimidin-5-yl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide
• SMILES: COc1ncnc(OC)c1-n1c(NS(=O)(=O)C(C)C(OC)c2ncc(Cl)cn2)nnc1-c1cnn2ccccc12
• InChI: InChI=1S/C23H23ClN10O5S/c1-13(18(37-2)19-25-9-14(24)10-26-19)40(35,36)32-23-31-30-20(15-11-29-33-8-6-5-7-16(15)33)34(23)17-21(38-3)27-12-28-22(17)39-4/h5-13,18H,1-4H3,(H,31,32)
• InChIKey: JIFMDQNGWDSXRW-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 173.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.02
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropyrimidin-2-yl)-N-[4-(4,6-dimethoxypyrimidin-5-yl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide?

The IUPAC name of 1-(5-chloropyrimidin-2-yl)-N-[4-(4,6-dimethoxypyrimidin-5-yl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide (CID 134541739) is 1-(5-chloropyrimidin-2-yl)-N-[4-(4,6-dimethoxypyrimidin-5-yl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide.

What is the SMILES notation for 1-(5-chloropyrimidin-2-yl)-N-[4-(4,6-dimethoxypyrimidin-5-yl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide?

The canonical SMILES for 1-(5-chloropyrimidin-2-yl)-N-[4-(4,6-dimethoxypyrimidin-5-yl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide is COc1ncnc(OC)c1-n1c(NS(=O)(=O)C(C)C(OC)c2ncc(Cl)cn2)nnc1-c1cnn2ccccc12.

What is the InChIKey of 1-(5-chloropyrimidin-2-yl)-N-[4-(4,6-dimethoxypyrimidin-5-yl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide?

The InChIKey is JIFMDQNGWDSXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN10O5S/c1-13(18(37-2)19-25-9-14(24)10-26-19)40(35,36)32-23-31-30-20(15-11-29-33-8-6-5-7-16(15)33)34(23)17-21(38-3)27-12-28-22(17)39-4/h5-13,18H,1-4H3,(H,31,32).

What are the key properties of 1-(5-chloropyrimidin-2-yl)-N-[4-(4,6-dimethoxypyrimidin-5-yl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide?

1-(5-chloropyrimidin-2-yl)-N-[4-(4,6-dimethoxypyrimidin-5-yl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide has a molecular weight of 587.02 g/mol, XLogP of 2.35, 10 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chloropyrimidin-2-yl)-N-[4-(4,6-dimethoxypyrimidin-5-yl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide is sourced from PubChem (CID 134541739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).