3-(3,6-dihydro-2H-pyran-4-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one

C26H24N2O3 — CID 147516700

IUPAC3-(3,6-dihydro-2H-pyran-4-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCOc1ccc(C2=C(C)Cc3c(C4=CCOCC4)c(-c4ccccc4)nn3C2=O)cc1
InChIInChI=1S/C26H24N2O3/c1-17-16-22-24(19-12-14-31-15-13-19)25(20-6-4-3-5-7-20)27-28(22)26(29)23(17)18-8-10-21(30-2)11-9-18/h3-12H,13-16H2,1-2H3
InChIKeyFKJGOIKIUAISLW-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.03
Rot. Bonds4

About 3-(3,6-dihydro-2H-pyran-4-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one

3-(3,6-dihydro-2H-pyran-4-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one (PubChem CID 147516700) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-pyran-4-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one.

Molecular Properties

Compound Name3-(3,6-dihydro-2H-pyran-4-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one
PubChem CID147516700
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name3-(3,6-dihydro-2H-pyran-4-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCOc1ccc(C2=C(C)Cc3c(C4=CCOCC4)c(-c4ccccc4)nn3C2=O)cc1
InChIInChI=1S/C26H24N2O3/c1-17-16-22-24(19-12-14-31-15-13-19)25(20-6-4-3-5-7-20)27-28(22)26(29)23(17)18-8-10-21(30-2)11-9-18/h3-12H,13-16H2,1-2H3
InChIKeyFKJGOIKIUAISLW-UHFFFAOYSA-N
XLogP5.03
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dihydro-2H-pyran-4-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The IUPAC name of 3-(3,6-dihydro-2H-pyran-4-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one (CID 147516700) is 3-(3,6-dihydro-2H-pyran-4-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one.
What is the SMILES notation for 3-(3,6-dihydro-2H-pyran-4-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The canonical SMILES for 3-(3,6-dihydro-2H-pyran-4-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one is COc1ccc(C2=C(C)Cc3c(C4=CCOCC4)c(-c4ccccc4)nn3C2=O)cc1.
What is the InChIKey of 3-(3,6-dihydro-2H-pyran-4-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
The InChIKey is FKJGOIKIUAISLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-17-16-22-24(19-12-14-31-15-13-19)25(20-6-4-3-5-7-20)27-28(22)26(29)23(17)18-8-10-21(30-2)11-9-18/h3-12H,13-16H2,1-2H3.
What are the key properties of 3-(3,6-dihydro-2H-pyran-4-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one?
3-(3,6-dihydro-2H-pyran-4-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one has a molecular weight of 412.49 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dihydro-2H-pyran-4-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one is sourced from PubChem (CID 147516700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).