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

C26H19N5O3 — CID 22978169

IUPAC3-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)c2)on1
InChIInChI=1S/C26H19N5O3/c1-16-13-24(34-31-16)26(33)28-20-7-4-5-17(14-20)25(32)18-8-10-21-22(29-30-23(21)15-18)11-9-19-6-2-3-12-27-19/h2-15H,1H3,(H,28,33)(H,29,30)/b11-9+
InChIKeyNCFLLRNTCWQKNB-PKNBQFBNSA-N
MW449.47 g/mol
LogP4.91
Rot. Bonds6

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

3-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 22978169) has the molecular formula C26H19N5O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is 3-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide
PubChem CID22978169
Molecular FormulaC26H19N5O3
Molecular Weight449.47 g/mol
Exact Mass449.15
IUPAC Name3-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)c2)on1
InChIInChI=1S/C26H19N5O3/c1-16-13-24(34-31-16)26(33)28-20-7-4-5-17(14-20)25(32)18-8-10-21-22(29-30-23(21)15-18)11-9-19-6-2-3-12-27-19/h2-15H,1H3,(H,28,33)(H,29,30)/b11-9+
InChIKeyNCFLLRNTCWQKNB-PKNBQFBNSA-N
XLogP4.91
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide (CID 22978169) is 3-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)c2)on1.
What is the InChIKey of 3-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is NCFLLRNTCWQKNB-PKNBQFBNSA-N. The full InChI is InChI=1S/C26H19N5O3/c1-16-13-24(34-31-16)26(33)28-20-7-4-5-17(14-20)25(32)18-8-10-21-22(29-30-23(21)15-18)11-9-19-6-2-3-12-27-19/h2-15H,1H3,(H,28,33)(H,29,30)/b11-9+.
What are the key properties of 3-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 449.47 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 22978169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).