N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-phenylpyrazole-3-carboxamide

C26H18N4O4 — CID 91404069

IUPACN-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-phenylpyrazole-3-carboxamide
SMILESO=CC1C(=O)Nc2cc(C(=O)c3cccc(NC(=O)c4ccnn4-c4ccccc4)c3)ccc21
InChIInChI=1S/C26H18N4O4/c31-15-21-20-10-9-17(14-22(20)29-25(21)33)24(32)16-5-4-6-18(13-16)28-26(34)23-11-12-27-30(23)19-7-2-1-3-8-19/h1-15,21H,(H,28,34)(H,29,33)
InChIKeyUZHSJRIWOKMJGM-UHFFFAOYSA-N
MW450.45 g/mol
LogP3.59
Rot. Bonds6

About N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-phenylpyrazole-3-carboxamide

N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-phenylpyrazole-3-carboxamide (PubChem CID 91404069) has the molecular formula C26H18N4O4 and a molecular weight of 450.45 g/mol. Its IUPAC name is N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-phenylpyrazole-3-carboxamide
PubChem CID91404069
Molecular FormulaC26H18N4O4
Molecular Weight450.45 g/mol
Exact Mass450.13
IUPAC NameN-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-phenylpyrazole-3-carboxamide
SMILESO=CC1C(=O)Nc2cc(C(=O)c3cccc(NC(=O)c4ccnn4-c4ccccc4)c3)ccc21
InChIInChI=1S/C26H18N4O4/c31-15-21-20-10-9-17(14-22(20)29-25(21)33)24(32)16-5-4-6-18(13-16)28-26(34)23-11-12-27-30(23)19-7-2-1-3-8-19/h1-15,21H,(H,28,34)(H,29,33)
InChIKeyUZHSJRIWOKMJGM-UHFFFAOYSA-N
XLogP3.59
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]acetamide
CID 91277037
N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-methylbenzamide
CID 91290164
2-phenyl-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide
CID 91424134
(3-iodophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331809
2,5-dimethyl-N-[3-[3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 91424261
(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330203
N-[3-[3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrimidine-5-carboxamide
CID 91519549
2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 90745562
2,5-dimethyl-N-[3-[2-oxo-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 91573470
2,5-dimethyl-N-[3-[2-oxo-3-[[4-(2-pyrrolidin-1-ylethyl)phenyl]iminomethyl]-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 91093202
2,5-dimethyl-N-[3-[3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 91466833
2-(3-cyanophenyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 10570767

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-phenylpyrazole-3-carboxamide (CID 91404069) is N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-phenylpyrazole-3-carboxamide is O=CC1C(=O)Nc2cc(C(=O)c3cccc(NC(=O)c4ccnn4-c4ccccc4)c3)ccc21.
What is the InChIKey of N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-phenylpyrazole-3-carboxamide?
The InChIKey is UZHSJRIWOKMJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O4/c31-15-21-20-10-9-17(14-22(20)29-25(21)33)24(32)16-5-4-6-18(13-16)28-26(34)23-11-12-27-30(23)19-7-2-1-3-8-19/h1-15,21H,(H,28,34)(H,29,33).
What are the key properties of N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-phenylpyrazole-3-carboxamide?
N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-phenylpyrazole-3-carboxamide has a molecular weight of 450.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 91404069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).