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

C26H23F3N4O3 — CID 86300402

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESO=C1CCCCN1c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc5c(c4)CCO5)c3C2=O)cc1
InChIInChI=1S/C26H23F3N4O3/c27-26(28,29)24-20-10-13-32(18-6-4-17(5-7-18)31-12-2-1-3-22(31)34)25(35)23(20)33(30-24)19-8-9-21-16(15-19)11-14-36-21/h4-9,15H,1-3,10-14H2
InChIKeyHZWDSBJRLYMILA-UHFFFAOYSA-N
MW496.49 g/mol
LogP4.55
Rot. Bonds3

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

1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 86300402) has the molecular formula C26H23F3N4O3 and a molecular weight of 496.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID86300402
Molecular FormulaC26H23F3N4O3
Molecular Weight496.49 g/mol
Exact Mass496.17
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESO=C1CCCCN1c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc5c(c4)CCO5)c3C2=O)cc1
InChIInChI=1S/C26H23F3N4O3/c27-26(28,29)24-20-10-13-32(18-6-4-17(5-7-18)31-12-2-1-3-22(31)34)25(35)23(20)33(30-24)19-8-9-21-16(15-19)11-14-36-21/h4-9,15H,1-3,10-14H2
InChIKeyHZWDSBJRLYMILA-UHFFFAOYSA-N
XLogP4.55
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 86300402) is 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is O=C1CCCCN1c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc5c(c4)CCO5)c3C2=O)cc1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is HZWDSBJRLYMILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O3/c27-26(28,29)24-20-10-13-32(18-6-4-17(5-7-18)31-12-2-1-3-22(31)34)25(35)23(20)33(30-24)19-8-9-21-16(15-19)11-14-36-21/h4-9,15H,1-3,10-14H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 496.49 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 86300402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).