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

C25H20N6O2 — CID 134155272

IUPACN-(3-methyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
SMILESCc1cc(NC(=O)c2ccccc2Nc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)on1
InChIInChI=1S/C25H20N6O2/c1-16-14-24(33-31-16)28-25(32)20-7-2-3-8-21(20)27-18-9-11-19-22(29-30-23(19)15-18)12-10-17-6-4-5-13-26-17/h2-15,27H,1H3,(H,28,32)(H,29,30)/b12-10+
InChIKeyRCUXWQRZSIJZFF-ZRDIBKRKSA-N
MW436.48 g/mol
LogP5.42
Rot. Bonds6

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

N-(3-methyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide (PubChem CID 134155272) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
PubChem CID134155272
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
SMILESCc1cc(NC(=O)c2ccccc2Nc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)on1
InChIInChI=1S/C25H20N6O2/c1-16-14-24(33-31-16)28-25(32)20-7-2-3-8-21(20)27-18-9-11-19-22(29-30-23(19)15-18)12-10-17-6-4-5-13-26-17/h2-15,27H,1H3,(H,28,32)(H,29,30)/b12-10+
InChIKeyRCUXWQRZSIJZFF-ZRDIBKRKSA-N
XLogP5.42
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.48
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide (CID 134155272) is N-(3-methyl-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-methyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide is Cc1cc(NC(=O)c2ccccc2Nc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)on1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
The InChIKey is RCUXWQRZSIJZFF-ZRDIBKRKSA-N. The full InChI is InChI=1S/C25H20N6O2/c1-16-14-24(33-31-16)28-25(32)20-7-2-3-8-21(20)27-18-9-11-19-22(29-30-23(19)15-18)12-10-17-6-4-5-13-26-17/h2-15,27H,1H3,(H,28,32)(H,29,30)/b12-10+.
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
N-(3-methyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide has a molecular weight of 436.48 g/mol, XLogP of 5.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide is sourced from PubChem (CID 134155272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).