5-indazol-2-yl-N-(4-methylphenyl)-2-piperidin-1-ylbenzamide

C26H26N4O — CID 118561132

IUPAC5-indazol-2-yl-N-(4-methylphenyl)-2-piperidin-1-ylbenzamide
SMILESCc1ccc(NC(=O)c2cc(-n3cc4ccccc4n3)ccc2N2CCCCC2)cc1
InChIInChI=1S/C26H26N4O/c1-19-9-11-21(12-10-19)27-26(31)23-17-22(13-14-25(23)29-15-5-2-6-16-29)30-18-20-7-3-4-8-24(20)28-30/h3-4,7-14,17-18H,2,5-6,15-16H2,1H3,(H,27,31)
InChIKeyZHYKJMHQLVSRJP-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.58
Rot. Bonds4

About 5-indazol-2-yl-N-(4-methylphenyl)-2-piperidin-1-ylbenzamide

5-indazol-2-yl-N-(4-methylphenyl)-2-piperidin-1-ylbenzamide (PubChem CID 118561132) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 5-indazol-2-yl-N-(4-methylphenyl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-indazol-2-yl-N-(4-methylphenyl)-2-piperidin-1-ylbenzamide
PubChem CID118561132
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name5-indazol-2-yl-N-(4-methylphenyl)-2-piperidin-1-ylbenzamide
SMILESCc1ccc(NC(=O)c2cc(-n3cc4ccccc4n3)ccc2N2CCCCC2)cc1
InChIInChI=1S/C26H26N4O/c1-19-9-11-21(12-10-19)27-26(31)23-17-22(13-14-25(23)29-15-5-2-6-16-29)30-18-20-7-3-4-8-24(20)28-30/h3-4,7-14,17-18H,2,5-6,15-16H2,1H3,(H,27,31)
InChIKeyZHYKJMHQLVSRJP-UHFFFAOYSA-N
XLogP5.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Niraparib
CID 24958200
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CID 24958198
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CID 44549251
N-[2-(dimethylamino)ethyl]-1H-pyrazolo[5,4-a]phenazine-10-carboxamide
CID 9902222
1-Methyl-1H-pyrazolo[3,4-alpha]phenazine-10-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 9946290
N-(2,3-dimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 16193945
N-(1H-indazol-5-yl)benzamide
CID 2389948
N-(3-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3510494
N-2-Naphthalenyl-1-pentyl-1H-indole-3-carboxamide
CID 56642424
c-Niraparib
CID 124081212
N-[4-[1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-6-yl(propyl)amino]butyl]-4-phenylbenzamide
CID 52937680
N-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850362

Frequently Asked Questions

What is the IUPAC name of 5-indazol-2-yl-N-(4-methylphenyl)-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-indazol-2-yl-N-(4-methylphenyl)-2-piperidin-1-ylbenzamide (CID 118561132) is 5-indazol-2-yl-N-(4-methylphenyl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-indazol-2-yl-N-(4-methylphenyl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-indazol-2-yl-N-(4-methylphenyl)-2-piperidin-1-ylbenzamide is Cc1ccc(NC(=O)c2cc(-n3cc4ccccc4n3)ccc2N2CCCCC2)cc1.
What is the InChIKey of 5-indazol-2-yl-N-(4-methylphenyl)-2-piperidin-1-ylbenzamide?
The InChIKey is ZHYKJMHQLVSRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-19-9-11-21(12-10-19)27-26(31)23-17-22(13-14-25(23)29-15-5-2-6-16-29)30-18-20-7-3-4-8-24(20)28-30/h3-4,7-14,17-18H,2,5-6,15-16H2,1H3,(H,27,31).
What are the key properties of 5-indazol-2-yl-N-(4-methylphenyl)-2-piperidin-1-ylbenzamide?
5-indazol-2-yl-N-(4-methylphenyl)-2-piperidin-1-ylbenzamide has a molecular weight of 410.52 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-indazol-2-yl-N-(4-methylphenyl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 118561132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).