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

C26H17ClN4O2S — CID 22978188

IUPAC5-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide
SMILESO=C(c1cccc(NC(=O)c2ccc(Cl)s2)c1)c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=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+
InChIKeyTUNNRXOARWHXQP-CSKARUKUSA-N
MW484.97 g/mol
LogP6.33
Rot. Bonds6

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 Name5-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide
PubChem CID22978188
Molecular FormulaC26H17ClN4O2S
Molecular Weight484.97 g/mol
Exact Mass484.08
IUPAC Name5-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide
SMILESO=C(c1cccc(NC(=O)c2ccc(Cl)s2)c1)c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=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+
InChIKeyTUNNRXOARWHXQP-CSKARUKUSA-N
XLogP6.33
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.97
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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).