N-[5-[4-[(2,3-dichlorophenyl)sulfanylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C21H22Cl2N6OS — CID 143929700

About N-[5-[4-[(2,3-dichlorophenyl)sulfanylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[(2,3-dichlorophenyl)sulfanylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 143929700) has the molecular formula C21H22Cl2N6OS and a molecular weight of 477.42 g/mol. Its IUPAC name is N-[5-[4-[(2,3-dichlorophenyl)sulfanylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[4-[(2,3-dichlorophenyl)sulfanylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• PubChem CID: 143929700
• Molecular Formula: C21H22Cl2N6OS
• Molecular Weight: 477.42 g/mol
• Exact Mass: 476.10
• IUPAC Name: N-[5-[4-[(2,3-dichlorophenyl)sulfanylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• SMILES: O=C(Nc1nc2cccc(N3CCC(NSc4cccc(Cl)c4Cl)CC3)n2n1)C1CC1
• InChI: InChI=1S/C21H22Cl2N6OS/c22-15-3-1-4-16(19(15)23)31-27-14-9-11-28(12-10-14)18-6-2-5-17-24-21(26-29(17)18)25-20(30)13-7-8-13/h1-6,13-14,27H,7-12H2,(H,25,26,30)
• InChIKey: UOPJRQNADRAWIT-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 74.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.42
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(2,3-dichlorophenyl)sulfanylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[4-[(2,3-dichlorophenyl)sulfanylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 143929700) is N-[5-[4-[(2,3-dichlorophenyl)sulfanylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[4-[(2,3-dichlorophenyl)sulfanylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[4-[(2,3-dichlorophenyl)sulfanylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(N3CCC(NSc4cccc(Cl)c4Cl)CC3)n2n1)C1CC1.

What is the InChIKey of N-[5-[4-[(2,3-dichlorophenyl)sulfanylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The InChIKey is UOPJRQNADRAWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N6OS/c22-15-3-1-4-16(19(15)23)31-27-14-9-11-28(12-10-14)18-6-2-5-17-24-21(26-29(17)18)25-20(30)13-7-8-13/h1-6,13-14,27H,7-12H2,(H,25,26,30).

What are the key properties of N-[5-[4-[(2,3-dichlorophenyl)sulfanylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

N-[5-[4-[(2,3-dichlorophenyl)sulfanylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 477.42 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-[(2,3-dichlorophenyl)sulfanylamino]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 143929700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).