5-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide

C26H17ClN4O2S — CID 22978188

About 5-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide

5-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide (PubChem CID 22978188) has the molecular formula C26H17ClN4O2S and a molecular weight of 484.97 g/mol. Its IUPAC name is 5-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide
• PubChem CID: 22978188
• Molecular Formula: C26H17ClN4O2S
• Molecular Weight: 484.97 g/mol
• Exact Mass: 484.08
• IUPAC Name: 5-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide
• SMILES: O=C(c1cccc(NC(=O)c2ccc(Cl)s2)c1)c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
• InChI: InChI=1S/C26H17ClN4O2S/c27-24-12-11-23(34-24)26(33)29-19-6-3-4-16(14-19)25(32)17-7-9-20-21(30-31-22(20)15-17)10-8-18-5-1-2-13-28-18/h1-15H,(H,29,33)(H,30,31)/b10-8+
• InChIKey: TUNNRXOARWHXQP-CSKARUKUSA-N
• XLogP: 6.33
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.97
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide (CID 22978188) is 5-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide is O=C(c1cccc(NC(=O)c2ccc(Cl)s2)c1)c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.

What is the InChIKey of 5-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide?

The InChIKey is TUNNRXOARWHXQP-CSKARUKUSA-N. The full InChI is InChI=1S/C26H17ClN4O2S/c27-24-12-11-23(34-24)26(33)29-19-6-3-4-16(14-19)25(32)17-7-9-20-21(30-31-22(20)15-17)10-8-18-5-1-2-13-28-18/h1-15H,(H,29,33)(H,30,31)/b10-8+.

What are the key properties of 5-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide?

5-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide has a molecular weight of 484.97 g/mol, XLogP of 6.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 22978188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).