5-[1-(3-chlorophenyl)sulfonylpyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C27H26ClN7O3S — CID 70832239

About 5-[1-(3-chlorophenyl)sulfonylpyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-[1-(3-chlorophenyl)sulfonylpyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 70832239) has the molecular formula C27H26ClN7O3S and a molecular weight of 564.07 g/mol. Its IUPAC name is 5-[1-(3-chlorophenyl)sulfonylpyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[1-(3-chlorophenyl)sulfonylpyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 70832239
• Molecular Formula: C27H26ClN7O3S
• Molecular Weight: 564.07 g/mol
• Exact Mass: 563.15
• IUPAC Name: 5-[1-(3-chlorophenyl)sulfonylpyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: O=S(=O)(c1cccc(Cl)c1)n1cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)cn1
• InChI: InChI=1S/C27H26ClN7O3S/c28-21-5-3-6-24(17-21)39(36,37)34-19-20(18-29-34)25-7-4-8-26-31-27(32-35(25)26)30-22-9-11-23(12-10-22)38-16-15-33-13-1-2-14-33/h3-12,17-19H,1-2,13-16H2,(H,30,32)
• InChIKey: TUOGTOXTPUXOKG-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 106.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.07
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chlorophenyl)sulfonylpyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of 5-[1-(3-chlorophenyl)sulfonylpyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 70832239) is 5-[1-(3-chlorophenyl)sulfonylpyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for 5-[1-(3-chlorophenyl)sulfonylpyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for 5-[1-(3-chlorophenyl)sulfonylpyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is O=S(=O)(c1cccc(Cl)c1)n1cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)cn1.

What is the InChIKey of 5-[1-(3-chlorophenyl)sulfonylpyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is TUOGTOXTPUXOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN7O3S/c28-21-5-3-6-24(17-21)39(36,37)34-19-20(18-29-34)25-7-4-8-26-31-27(32-35(25)26)30-22-9-11-23(12-10-22)38-16-15-33-13-1-2-14-33/h3-12,17-19H,1-2,13-16H2,(H,30,32).

What are the key properties of 5-[1-(3-chlorophenyl)sulfonylpyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

5-[1-(3-chlorophenyl)sulfonylpyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 564.07 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(3-chlorophenyl)sulfonylpyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 70832239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).