3-(difluoromethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C26H24F2N4O3 — CID 86300404

IUPAC3-(difluoromethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESO=C1CCCCN1c1ccc(N2CCc3c(C(F)F)nn(-c4ccc5c(c4)CCO5)c3C2=O)cc1
InChIInChI=1S/C26H24F2N4O3/c27-25(28)23-20-10-13-31(18-6-4-17(5-7-18)30-12-2-1-3-22(30)33)26(34)24(20)32(29-23)19-8-9-21-16(15-19)11-14-35-21/h4-9,15,25H,1-3,10-14H2
InChIKeyRXSVUWWQWXTZHF-UHFFFAOYSA-N
MW478.50 g/mol
LogP4.46
Rot. Bonds4

About 3-(difluoromethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

3-(difluoromethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 86300404) has the molecular formula C26H24F2N4O3 and a molecular weight of 478.50 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID86300404
Molecular FormulaC26H24F2N4O3
Molecular Weight478.50 g/mol
Exact Mass478.18
IUPAC Name3-(difluoromethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESO=C1CCCCN1c1ccc(N2CCc3c(C(F)F)nn(-c4ccc5c(c4)CCO5)c3C2=O)cc1
InChIInChI=1S/C26H24F2N4O3/c27-25(28)23-20-10-13-31(18-6-4-17(5-7-18)30-12-2-1-3-22(30)33)26(34)24(20)32(29-23)19-8-9-21-16(15-19)11-14-35-21/h4-9,15,25H,1-3,10-14H2
InChIKeyRXSVUWWQWXTZHF-UHFFFAOYSA-N
XLogP4.46
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(difluoromethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 3-(difluoromethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 86300404) is 3-(difluoromethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 3-(difluoromethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 3-(difluoromethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is O=C1CCCCN1c1ccc(N2CCc3c(C(F)F)nn(-c4ccc5c(c4)CCO5)c3C2=O)cc1.
What is the InChIKey of 3-(difluoromethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is RXSVUWWQWXTZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O3/c27-25(28)23-20-10-13-31(18-6-4-17(5-7-18)30-12-2-1-3-22(30)33)26(34)24(20)32(29-23)19-8-9-21-16(15-19)11-14-35-21/h4-9,15,25H,1-3,10-14H2.
What are the key properties of 3-(difluoromethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
3-(difluoromethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 478.50 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 86300404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).