6-[[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]amino]pyridine-3-carboxamide

C27H20N6O2S — CID 134152323

About 6-[[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]amino]pyridine-3-carboxamide

6-[[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]amino]pyridine-3-carboxamide (PubChem CID 134152323) has the molecular formula C27H20N6O2S and a molecular weight of 492.56 g/mol. Its IUPAC name is 6-[[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]amino]pyridine-3-carboxamide
• PubChem CID: 134152323
• Molecular Formula: C27H20N6O2S
• Molecular Weight: 492.56 g/mol
• Exact Mass: 492.14
• IUPAC Name: 6-[[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]amino]pyridine-3-carboxamide
• SMILES: NC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)nc1
• InChI: InChI=1S/C27H20N6O2S/c28-26(34)17-8-13-25(30-16-17)31-27(35)21-6-1-2-7-24(21)36-19-10-11-20-22(32-33-23(20)15-19)12-9-18-5-3-4-14-29-18/h1-16H,(H2,28,34)(H,32,33)(H,30,31,35)/b12-9+
• InChIKey: MMORCLGNJKMGQE-FMIVXFBMSA-N
• XLogP: 5.03
• TPSA: 126.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.56
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]amino]pyridine-3-carboxamide?

The IUPAC name of 6-[[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]amino]pyridine-3-carboxamide (CID 134152323) is 6-[[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 6-[[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]amino]pyridine-3-carboxamide?

The canonical SMILES for 6-[[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]amino]pyridine-3-carboxamide is NC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)nc1.

What is the InChIKey of 6-[[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]amino]pyridine-3-carboxamide?

The InChIKey is MMORCLGNJKMGQE-FMIVXFBMSA-N. The full InChI is InChI=1S/C27H20N6O2S/c28-26(34)17-8-13-25(30-16-17)31-27(35)21-6-1-2-7-24(21)36-19-10-11-20-22(32-33-23(20)15-19)12-9-18-5-3-4-14-29-18/h1-16H,(H2,28,34)(H,32,33)(H,30,31,35)/b12-9+.

What are the key properties of 6-[[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]amino]pyridine-3-carboxamide?

6-[[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]amino]pyridine-3-carboxamide has a molecular weight of 492.56 g/mol, XLogP of 5.03, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 134152323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).