N-(2-methylbutyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide

C26H27N5O — CID 134134475

IUPACN-(2-methylbutyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
SMILESCCC(C)CNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C26H27N5O/c1-3-18(2)17-28-26(32)22-9-4-5-10-23(22)29-20-11-13-21-24(30-31-25(21)16-20)14-12-19-8-6-7-15-27-19/h4-16,18,29H,3,17H2,1-2H3,(H,28,32)(H,30,31)/b14-12+
InChIKeyPOOULOOPMIYDRH-WYMLVPIESA-N
MW425.54 g/mol
LogP5.65
Rot. Bonds8

About N-(2-methylbutyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide

N-(2-methylbutyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide (PubChem CID 134134475) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is N-(2-methylbutyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methylbutyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
PubChem CID134134475
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC NameN-(2-methylbutyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
SMILESCCC(C)CNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C26H27N5O/c1-3-18(2)17-28-26(32)22-9-4-5-10-23(22)29-20-11-13-21-24(30-31-25(21)16-20)14-12-19-8-6-7-15-27-19/h4-16,18,29H,3,17H2,1-2H3,(H,28,32)(H,30,31)/b14-12+
InChIKeyPOOULOOPMIYDRH-WYMLVPIESA-N
XLogP5.65
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-methylbutyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134135082
N-butan-2-yl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134156418
N-(2-amino-2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134158044
N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134140703
N-[(2-methylphenyl)methyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134137452
N-(1,3-dihydroxypropan-2-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134136143
N'-methylsulfonyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzohydrazide
CID 134139530
N-[2-(4-aminophenyl)ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134138951
N-cyclobutyl-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]benzamide
CID 69353118
2-[[3-[2-(4-ethyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-prop-2-ynylbenzamide
CID 91286597
N-(5-amino-1H-1,2,4-triazol-3-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134131728
2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 134139398

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
The IUPAC name of N-(2-methylbutyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide (CID 134134475) is N-(2-methylbutyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide.
What is the SMILES notation for N-(2-methylbutyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
The canonical SMILES for N-(2-methylbutyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide is CCC(C)CNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.
What is the InChIKey of N-(2-methylbutyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
The InChIKey is POOULOOPMIYDRH-WYMLVPIESA-N. The full InChI is InChI=1S/C26H27N5O/c1-3-18(2)17-28-26(32)22-9-4-5-10-23(22)29-20-11-13-21-24(30-31-25(21)16-20)14-12-19-8-6-7-15-27-19/h4-16,18,29H,3,17H2,1-2H3,(H,28,32)(H,30,31)/b14-12+.
What are the key properties of N-(2-methylbutyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
N-(2-methylbutyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide has a molecular weight of 425.54 g/mol, XLogP of 5.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide is sourced from PubChem (CID 134134475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).