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

C24H19N7OS — CID 166985060

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

1-(1,3-benzothiazol-2-ylmethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide (PubChem CID 166985060) has the molecular formula C24H19N7OS and a molecular weight of 453.53 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-ylmethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(1,3-benzothiazol-2-ylmethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
• PubChem CID: 166985060
• Molecular Formula: C24H19N7OS
• Molecular Weight: 453.53 g/mol
• Exact Mass: 453.14
• IUPAC Name: 1-(1,3-benzothiazol-2-ylmethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
• SMILES: O=C(NCCc1nnc2ccccn12)c1nn(Cc2nc3ccccc3s2)c2ccccc12
• InChI: InChI=1S/C24H19N7OS/c32-24(25-13-12-21-28-27-20-11-5-6-14-30(20)21)23-16-7-1-3-9-18(16)31(29-23)15-22-26-17-8-2-4-10-19(17)33-22/h1-11,14H,12-13,15H2,(H,25,32)
• InChIKey: VOYADPOFJIPDBV-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 90.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.53
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide (CID 166985060) is 1-(1,3-benzothiazol-2-ylmethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide.

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

The canonical SMILES for 1-(1,3-benzothiazol-2-ylmethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide is O=C(NCCc1nnc2ccccn12)c1nn(Cc2nc3ccccc3s2)c2ccccc12.

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

The InChIKey is VOYADPOFJIPDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7OS/c32-24(25-13-12-21-28-27-20-11-5-6-14-30(20)21)23-16-7-1-3-9-18(16)31(29-23)15-22-26-17-8-2-4-10-19(17)33-22/h1-11,14H,12-13,15H2,(H,25,32).

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

1-(1,3-benzothiazol-2-ylmethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide has a molecular weight of 453.53 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzothiazol-2-ylmethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide is sourced from PubChem (CID 166985060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).