3-methyl-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide

C26H19N5O3 — CID 69370570

IUPAC3-methyl-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(=O)c3ccc4cnn(C=Cc5ccccn5)c4c3)c2)on1
InChIInChI=1S/C26H19N5O3/c1-17-13-24(34-30-17)26(33)29-22-7-4-5-18(14-22)25(32)19-8-9-20-16-28-31(23(20)15-19)12-10-21-6-2-3-11-27-21/h2-16H,1H3,(H,29,33)
InChIKeyYDRSWYLBJGEYGF-UHFFFAOYSA-N
MW449.47 g/mol
LogP4.84
Rot. Bonds6

About 3-methyl-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 69370570) has the molecular formula C26H19N5O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is 3-methyl-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide
PubChem CID69370570
Molecular FormulaC26H19N5O3
Molecular Weight449.47 g/mol
Exact Mass449.15
IUPAC Name3-methyl-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(=O)c3ccc4cnn(C=Cc5ccccn5)c4c3)c2)on1
InChIInChI=1S/C26H19N5O3/c1-17-13-24(34-30-17)26(33)29-22-7-4-5-18(14-22)25(32)19-8-9-20-16-28-31(23(20)15-19)12-10-21-6-2-3-11-27-21/h2-16H,1H3,(H,29,33)
InChIKeyYDRSWYLBJGEYGF-UHFFFAOYSA-N
XLogP4.84
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide (CID 69370570) is 3-methyl-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2cccc(C(=O)c3ccc4cnn(C=Cc5ccccn5)c4c3)c2)on1.
What is the InChIKey of 3-methyl-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is YDRSWYLBJGEYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O3/c1-17-13-24(34-30-17)26(33)29-22-7-4-5-18(14-22)25(32)19-8-9-20-16-28-31(23(20)15-19)12-10-21-6-2-3-11-27-21/h2-16H,1H3,(H,29,33).
What are the key properties of 3-methyl-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 449.47 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 69370570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).