5-[1-[(3,5-dimethoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one

C23H24N4O3 — CID 155546897

IUPAC5-[1-[(3,5-dimethoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one
SMILESCNc1cc(-c2ccc3cnn(Cc4cc(OC)cc(OC)c4)c3c2)cn(C)c1=O
InChIInChI=1S/C23H24N4O3/c1-24-21-9-18(14-26(2)23(21)28)16-5-6-17-12-25-27(22(17)10-16)13-15-7-19(29-3)11-20(8-15)30-4/h5-12,14,24H,13H2,1-4H3
InChIKeyBBYODNXYGZVTRI-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.51
Rot. Bonds6

About 5-[1-[(3,5-dimethoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one

5-[1-[(3,5-dimethoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one (PubChem CID 155546897) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-[1-[(3,5-dimethoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name5-[1-[(3,5-dimethoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one
PubChem CID155546897
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name5-[1-[(3,5-dimethoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one
SMILESCNc1cc(-c2ccc3cnn(Cc4cc(OC)cc(OC)c4)c3c2)cn(C)c1=O
InChIInChI=1S/C23H24N4O3/c1-24-21-9-18(14-26(2)23(21)28)16-5-6-17-12-25-27(22(17)10-16)13-15-7-19(29-3)11-20(8-15)30-4/h5-12,14,24H,13H2,1-4H3
InChIKeyBBYODNXYGZVTRI-UHFFFAOYSA-N
XLogP3.51
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3,5-dimethoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one?
The IUPAC name of 5-[1-[(3,5-dimethoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one (CID 155546897) is 5-[1-[(3,5-dimethoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 5-[1-[(3,5-dimethoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one?
The canonical SMILES for 5-[1-[(3,5-dimethoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one is CNc1cc(-c2ccc3cnn(Cc4cc(OC)cc(OC)c4)c3c2)cn(C)c1=O.
What is the InChIKey of 5-[1-[(3,5-dimethoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one?
The InChIKey is BBYODNXYGZVTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-24-21-9-18(14-26(2)23(21)28)16-5-6-17-12-25-27(22(17)10-16)13-15-7-19(29-3)11-20(8-15)30-4/h5-12,14,24H,13H2,1-4H3.
What are the key properties of 5-[1-[(3,5-dimethoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one?
5-[1-[(3,5-dimethoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one has a molecular weight of 404.47 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3,5-dimethoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 155546897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).