4-(3-methyl-2H-indazol-5-yl)-6-[2-(2-methylpropoxy)phenyl]-1H-pyridin-2-one

C23H23N3O2 — CID 25122083

IUPAC4-(3-methyl-2H-indazol-5-yl)-6-[2-(2-methylpropoxy)phenyl]-1H-pyridin-2-one
SMILESCc1[nH]nc2ccc(-c3cc(-c4ccccc4OCC(C)C)[nH]c(=O)c3)cc12
InChIInChI=1S/C23H23N3O2/c1-14(2)13-28-22-7-5-4-6-18(22)21-11-17(12-23(27)24-21)16-8-9-20-19(10-16)15(3)25-26-20/h4-12,14H,13H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyBFQGRMFGCRYDKG-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.93
Rot. Bonds5

About 4-(3-methyl-2H-indazol-5-yl)-6-[2-(2-methylpropoxy)phenyl]-1H-pyridin-2-one

4-(3-methyl-2H-indazol-5-yl)-6-[2-(2-methylpropoxy)phenyl]-1H-pyridin-2-one (PubChem CID 25122083) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-(3-methyl-2H-indazol-5-yl)-6-[2-(2-methylpropoxy)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3-methyl-2H-indazol-5-yl)-6-[2-(2-methylpropoxy)phenyl]-1H-pyridin-2-one
PubChem CID25122083
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name4-(3-methyl-2H-indazol-5-yl)-6-[2-(2-methylpropoxy)phenyl]-1H-pyridin-2-one
SMILESCc1[nH]nc2ccc(-c3cc(-c4ccccc4OCC(C)C)[nH]c(=O)c3)cc12
InChIInChI=1S/C23H23N3O2/c1-14(2)13-28-22-7-5-4-6-18(22)21-11-17(12-23(27)24-21)16-8-9-20-19(10-16)15(3)25-26-20/h4-12,14H,13H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyBFQGRMFGCRYDKG-UHFFFAOYSA-N
XLogP4.93
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2H-indazol-5-yl)-6-[2-(2-methylpropoxy)phenyl]-1H-pyridin-2-one?
The IUPAC name of 4-(3-methyl-2H-indazol-5-yl)-6-[2-(2-methylpropoxy)phenyl]-1H-pyridin-2-one (CID 25122083) is 4-(3-methyl-2H-indazol-5-yl)-6-[2-(2-methylpropoxy)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-(3-methyl-2H-indazol-5-yl)-6-[2-(2-methylpropoxy)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 4-(3-methyl-2H-indazol-5-yl)-6-[2-(2-methylpropoxy)phenyl]-1H-pyridin-2-one is Cc1[nH]nc2ccc(-c3cc(-c4ccccc4OCC(C)C)[nH]c(=O)c3)cc12.
What is the InChIKey of 4-(3-methyl-2H-indazol-5-yl)-6-[2-(2-methylpropoxy)phenyl]-1H-pyridin-2-one?
The InChIKey is BFQGRMFGCRYDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-14(2)13-28-22-7-5-4-6-18(22)21-11-17(12-23(27)24-21)16-8-9-20-19(10-16)15(3)25-26-20/h4-12,14H,13H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 4-(3-methyl-2H-indazol-5-yl)-6-[2-(2-methylpropoxy)phenyl]-1H-pyridin-2-one?
4-(3-methyl-2H-indazol-5-yl)-6-[2-(2-methylpropoxy)phenyl]-1H-pyridin-2-one has a molecular weight of 373.46 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2H-indazol-5-yl)-6-[2-(2-methylpropoxy)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 25122083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).