N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide

C26H22N6O2 — CID 134132357

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
SMILESCc1noc(NC(=O)c2ccccc2Nc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1C
InChIInChI=1S/C26H22N6O2/c1-16-17(2)32-34-26(16)29-25(33)21-8-3-4-9-22(21)28-19-10-12-20-23(30-31-24(20)15-19)13-11-18-7-5-6-14-27-18/h3-15,28H,1-2H3,(H,29,33)(H,30,31)/b13-11+
InChIKeyHLUZWBPZOOIDCF-ACCUITESSA-N
MW450.50 g/mol
LogP5.73
Rot. Bonds6

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide (PubChem CID 134132357) has the molecular formula C26H22N6O2 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
PubChem CID134132357
Molecular FormulaC26H22N6O2
Molecular Weight450.50 g/mol
Exact Mass450.18
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
SMILESCc1noc(NC(=O)c2ccccc2Nc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1C
InChIInChI=1S/C26H22N6O2/c1-16-17(2)32-34-26(16)29-25(33)21-8-3-4-9-22(21)28-19-10-12-20-23(30-31-24(20)15-19)13-11-18-7-5-6-14-27-18/h3-15,28H,1-2H3,(H,29,33)(H,30,31)/b13-11+
InChIKeyHLUZWBPZOOIDCF-ACCUITESSA-N
XLogP5.73
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide (CID 134132357) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide is Cc1noc(NC(=O)c2ccccc2Nc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
The InChIKey is HLUZWBPZOOIDCF-ACCUITESSA-N. The full InChI is InChI=1S/C26H22N6O2/c1-16-17(2)32-34-26(16)29-25(33)21-8-3-4-9-22(21)28-19-10-12-20-23(30-31-24(20)15-19)13-11-18-7-5-6-14-27-18/h3-15,28H,1-2H3,(H,29,33)(H,30,31)/b13-11+.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide has a molecular weight of 450.50 g/mol, XLogP of 5.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide is sourced from PubChem (CID 134132357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).