1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide

C21H19N7OS — CID 166984948

About 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide (PubChem CID 166984948) has the molecular formula C21H19N7OS and a molecular weight of 417.50 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
• PubChem CID: 166984948
• Molecular Formula: C21H19N7OS
• Molecular Weight: 417.50 g/mol
• Exact Mass: 417.14
• IUPAC Name: 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
• SMILES: Cc1nc(Cn2nc(C(=O)NCCc3nnc4ccccn34)c3ccccc32)cs1
• InChI: InChI=1S/C21H19N7OS/c1-14-23-15(13-30-14)12-28-17-7-3-2-6-16(17)20(26-28)21(29)22-10-9-19-25-24-18-8-4-5-11-27(18)19/h2-8,11,13H,9-10,12H2,1H3,(H,22,29)
• InChIKey: JSHHMUHMDZEZRB-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 90.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.50
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide?

The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide (CID 166984948) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide.

What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide?

The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide is Cc1nc(Cn2nc(C(=O)NCCc3nnc4ccccn34)c3ccccc32)cs1.

What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide?

The InChIKey is JSHHMUHMDZEZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7OS/c1-14-23-15(13-30-14)12-28-17-7-3-2-6-16(17)20(26-28)21(29)22-10-9-19-25-24-18-8-4-5-11-27(18)19/h2-8,11,13H,9-10,12H2,1H3,(H,22,29).

What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide?

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide has a molecular weight of 417.50 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide is sourced from PubChem (CID 166984948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).