4-methyl-5-[2-[1-(1-oxo-3H-2-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethyl]-3H-2-benzofuran-1-one

C25H23N3O4 — CID 118189030

IUPAC4-methyl-5-[2-[1-(1-oxo-3H-2-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethyl]-3H-2-benzofuran-1-one
SMILESCc1c(CCN2CCc3c(cnn3-c3ccc4c(c3)COC4=O)C2)ccc2c1COC2=O
InChIInChI=1S/C25H23N3O4/c1-15-16(2-4-21-22(15)14-32-25(21)30)6-8-27-9-7-23-18(12-27)11-26-28(23)19-3-5-20-17(10-19)13-31-24(20)29/h2-5,10-11H,6-9,12-14H2,1H3
InChIKeyXEBOQWLKJOOHRT-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.12
Rot. Bonds4

About 4-methyl-5-[2-[1-(1-oxo-3H-2-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethyl]-3H-2-benzofuran-1-one

4-methyl-5-[2-[1-(1-oxo-3H-2-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethyl]-3H-2-benzofuran-1-one (PubChem CID 118189030) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-methyl-5-[2-[1-(1-oxo-3H-2-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name4-methyl-5-[2-[1-(1-oxo-3H-2-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethyl]-3H-2-benzofuran-1-one
PubChem CID118189030
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name4-methyl-5-[2-[1-(1-oxo-3H-2-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethyl]-3H-2-benzofuran-1-one
SMILESCc1c(CCN2CCc3c(cnn3-c3ccc4c(c3)COC4=O)C2)ccc2c1COC2=O
InChIInChI=1S/C25H23N3O4/c1-15-16(2-4-21-22(15)14-32-25(21)30)6-8-27-9-7-23-18(12-27)11-26-28(23)19-3-5-20-17(10-19)13-31-24(20)29/h2-5,10-11H,6-9,12-14H2,1H3
InChIKeyXEBOQWLKJOOHRT-UHFFFAOYSA-N
XLogP3.12
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-methyl-5-[2-[1-(1-oxo-3H-2-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethyl]-3H-2-benzofuran-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-[1-(1-oxo-3H-2-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethyl]-3H-2-benzofuran-1-one?
The IUPAC name of 4-methyl-5-[2-[1-(1-oxo-3H-2-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethyl]-3H-2-benzofuran-1-one (CID 118189030) is 4-methyl-5-[2-[1-(1-oxo-3H-2-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 4-methyl-5-[2-[1-(1-oxo-3H-2-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethyl]-3H-2-benzofuran-1-one?
The canonical SMILES for 4-methyl-5-[2-[1-(1-oxo-3H-2-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethyl]-3H-2-benzofuran-1-one is Cc1c(CCN2CCc3c(cnn3-c3ccc4c(c3)COC4=O)C2)ccc2c1COC2=O.
What is the InChIKey of 4-methyl-5-[2-[1-(1-oxo-3H-2-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethyl]-3H-2-benzofuran-1-one?
The InChIKey is XEBOQWLKJOOHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-15-16(2-4-21-22(15)14-32-25(21)30)6-8-27-9-7-23-18(12-27)11-26-28(23)19-3-5-20-17(10-19)13-31-24(20)29/h2-5,10-11H,6-9,12-14H2,1H3.
What are the key properties of 4-methyl-5-[2-[1-(1-oxo-3H-2-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethyl]-3H-2-benzofuran-1-one?
4-methyl-5-[2-[1-(1-oxo-3H-2-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethyl]-3H-2-benzofuran-1-one has a molecular weight of 429.48 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-[1-(1-oxo-3H-2-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 118189030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).