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

C27H21N5O2 — CID 134137648

IUPACN-phenoxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
SMILESO=C(NOc1ccccc1)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C27H21N5O2/c33-27(32-34-21-9-2-1-3-10-21)23-11-4-5-12-24(23)29-20-13-15-22-25(30-31-26(22)18-20)16-14-19-8-6-7-17-28-19/h1-18,29H,(H,30,31)(H,32,33)/b16-14+
InChIKeyFSLICYFQUGOCGU-JQIJEIRASA-N
MW447.50 g/mol
LogP5.60
Rot. Bonds7

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

N-phenoxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide (PubChem CID 134137648) has the molecular formula C27H21N5O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-phenoxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide.

Molecular Properties

Compound NameN-phenoxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
PubChem CID134137648
Molecular FormulaC27H21N5O2
Molecular Weight447.50 g/mol
Exact Mass447.17
IUPAC NameN-phenoxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
SMILESO=C(NOc1ccccc1)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C27H21N5O2/c33-27(32-34-21-9-2-1-3-10-21)23-11-4-5-12-24(23)29-20-13-15-22-25(30-31-26(22)18-20)16-14-19-8-6-7-17-28-19/h1-18,29H,(H,30,31)(H,32,33)/b16-14+
InChIKeyFSLICYFQUGOCGU-JQIJEIRASA-N
XLogP5.60
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.50
LogP ≤ 55.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenoxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
The IUPAC name of N-phenoxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide (CID 134137648) is N-phenoxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide.
What is the SMILES notation for N-phenoxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
The canonical SMILES for N-phenoxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide is O=C(NOc1ccccc1)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.
What is the InChIKey of N-phenoxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
The InChIKey is FSLICYFQUGOCGU-JQIJEIRASA-N. The full InChI is InChI=1S/C27H21N5O2/c33-27(32-34-21-9-2-1-3-10-21)23-11-4-5-12-24(23)29-20-13-15-22-25(30-31-26(22)18-20)16-14-19-8-6-7-17-28-19/h1-18,29H,(H,30,31)(H,32,33)/b16-14+.
What are the key properties of N-phenoxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
N-phenoxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide has a molecular weight of 447.50 g/mol, XLogP of 5.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenoxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide is sourced from PubChem (CID 134137648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).