7-(1-benzothiophen-2-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-1H-indazole-5-carboxamide

C25H17N5O2S — CID 91350780

IUPAC7-(1-benzothiophen-2-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-1H-indazole-5-carboxamide
SMILESO=C(Nc1cc(=O)n(-c2ccccc2)[nH]1)c1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1
InChIInChI=1S/C25H17N5O2S/c31-23-13-22(29-30(23)18-7-2-1-3-8-18)27-25(32)16-10-17-14-26-28-24(17)19(11-16)21-12-15-6-4-5-9-20(15)33-21/h1-14,29H,(H,26,28)(H,27,32)
InChIKeyCHIZFRQMISWHGP-UHFFFAOYSA-N
MW451.51 g/mol
LogP5.18
Rot. Bonds4

About 7-(1-benzothiophen-2-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-1H-indazole-5-carboxamide

7-(1-benzothiophen-2-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-1H-indazole-5-carboxamide (PubChem CID 91350780) has the molecular formula C25H17N5O2S and a molecular weight of 451.51 g/mol. Its IUPAC name is 7-(1-benzothiophen-2-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name7-(1-benzothiophen-2-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-1H-indazole-5-carboxamide
PubChem CID91350780
Molecular FormulaC25H17N5O2S
Molecular Weight451.51 g/mol
Exact Mass451.11
IUPAC Name7-(1-benzothiophen-2-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-1H-indazole-5-carboxamide
SMILESO=C(Nc1cc(=O)n(-c2ccccc2)[nH]1)c1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1
InChIInChI=1S/C25H17N5O2S/c31-23-13-22(29-30(23)18-7-2-1-3-8-18)27-25(32)16-10-17-14-26-28-24(17)19(11-16)21-12-15-6-4-5-9-20(15)33-21/h1-14,29H,(H,26,28)(H,27,32)
InChIKeyCHIZFRQMISWHGP-UHFFFAOYSA-N
XLogP5.18
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.51
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-benzothiophen-2-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-1H-indazole-5-carboxamide?
The IUPAC name of 7-(1-benzothiophen-2-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-1H-indazole-5-carboxamide (CID 91350780) is 7-(1-benzothiophen-2-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 7-(1-benzothiophen-2-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for 7-(1-benzothiophen-2-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-1H-indazole-5-carboxamide is O=C(Nc1cc(=O)n(-c2ccccc2)[nH]1)c1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1.
What is the InChIKey of 7-(1-benzothiophen-2-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-1H-indazole-5-carboxamide?
The InChIKey is CHIZFRQMISWHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5O2S/c31-23-13-22(29-30(23)18-7-2-1-3-8-18)27-25(32)16-10-17-14-26-28-24(17)19(11-16)21-12-15-6-4-5-9-20(15)33-21/h1-14,29H,(H,26,28)(H,27,32).
What are the key properties of 7-(1-benzothiophen-2-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-1H-indazole-5-carboxamide?
7-(1-benzothiophen-2-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-1H-indazole-5-carboxamide has a molecular weight of 451.51 g/mol, XLogP of 5.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzothiophen-2-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 91350780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).