1-[3-(1-benzothiophen-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-6-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-naphthalen-1-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C87H96N14O8S — CID 163506618

IUPAC1-[3-(1-benzothiophen-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-6-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-naphthalen-1-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3ccc4cc[nH]c4c3)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4ccccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3ccnc4ccccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3csc4ccccc34)nn2C2CCOCC2)C1
InChIInChI=1S/C23H25N3O2.C22H24N4O2.C21H24N4O2.C21H23N3O2S/c1-16(27)25-12-9-22-21(15-25)23(24-26(22)18-10-13-28-14-11-18)20-8-4-6-17-5-2-3-7-19(17)20;1-15(27)25-11-7-21-19(14-25)22(24-26(21)16-8-12-28-13-9-16)18-6-10-23-20-5-3-2-4-17(18)20;1-14(26)24-9-5-20-18(13-24)21(23-25(20)17-6-10-27-11-7-17)16-3-2-15-4-8-22-19(15)12-16;1-14(25)23-9-6-19-17(12-23)21(22-24(19)15-7-10-26-11-8-15)18-13-27-20-5-3-2-4-16(18)20/h2-8,18H,9-15H2,1H3;2-6,10,16H,7-9,11-14H2,1H3;2-4,8,12,17,22H,5-7,9-11,13H2,1H3;2-5,13,15H,6-12H2,1H3
InChIKeyCZCHFVBVOUMBFS-UHFFFAOYSA-N
MW1497.88 g/mol
LogP14.62
Rot. Bonds8

About 1-[3-(1-benzothiophen-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-6-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-naphthalen-1-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-(1-benzothiophen-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-6-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-naphthalen-1-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 163506618) has the molecular formula C87H96N14O8S and a molecular weight of 1497.88 g/mol. Its IUPAC name is 1-[3-(1-benzothiophen-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-6-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-naphthalen-1-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(1-benzothiophen-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-6-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-naphthalen-1-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID163506618
Molecular FormulaC87H96N14O8S
Molecular Weight1497.88 g/mol
Exact Mass1496.73
IUPAC Name1-[3-(1-benzothiophen-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-6-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-naphthalen-1-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3ccc4cc[nH]c4c3)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4ccccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3ccnc4ccccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3csc4ccccc34)nn2C2CCOCC2)C1
InChIInChI=1S/C23H25N3O2.C22H24N4O2.C21H24N4O2.C21H23N3O2S/c1-16(27)25-12-9-22-21(15-25)23(24-26(22)18-10-13-28-14-11-18)20-8-4-6-17-5-2-3-7-19(17)20;1-15(27)25-11-7-21-19(14-25)22(24-26(21)16-8-12-28-13-9-16)18-6-10-23-20-5-3-2-4-17(18)20;1-14(26)24-9-5-20-18(13-24)21(23-25(20)17-6-10-27-11-7-17)16-3-2-15-4-8-22-19(15)12-16;1-14(25)23-9-6-19-17(12-23)21(22-24(19)15-7-10-26-11-8-15)18-13-27-20-5-3-2-4-16(18)20/h2-8,18H,9-15H2,1H3;2-6,10,16H,7-9,11-14H2,1H3;2-4,8,12,17,22H,5-7,9-11,13H2,1H3;2-5,13,15H,6-12H2,1H3
InChIKeyCZCHFVBVOUMBFS-UHFFFAOYSA-N
XLogP14.62
TPSA218.12 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001497.88
LogP ≤ 514.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 1-[3-(1-benzothiophen-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-6-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-naphthalen-1-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzothiophen-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-6-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-naphthalen-1-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(1-benzothiophen-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-6-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-naphthalen-1-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 163506618) is 1-[3-(1-benzothiophen-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-6-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-naphthalen-1-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(1-benzothiophen-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-6-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-naphthalen-1-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(1-benzothiophen-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-6-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-naphthalen-1-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3ccc4cc[nH]c4c3)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4ccccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3ccnc4ccccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3csc4ccccc34)nn2C2CCOCC2)C1.
What is the InChIKey of 1-[3-(1-benzothiophen-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-6-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-naphthalen-1-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is CZCHFVBVOUMBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2.C22H24N4O2.C21H24N4O2.C21H23N3O2S/c1-16(27)25-12-9-22-21(15-25)23(24-26(22)18-10-13-28-14-11-18)20-8-4-6-17-5-2-3-7-19(17)20;1-15(27)25-11-7-21-19(14-25)22(24-26(21)16-8-12-28-13-9-16)18-6-10-23-20-5-3-2-4-17(18)20;1-14(26)24-9-5-20-18(13-24)21(23-25(20)17-6-10-27-11-7-17)16-3-2-15-4-8-22-19(15)12-16;1-14(25)23-9-6-19-17(12-23)21(22-24(19)15-7-10-26-11-8-15)18-13-27-20-5-3-2-4-16(18)20/h2-8,18H,9-15H2,1H3;2-6,10,16H,7-9,11-14H2,1H3;2-4,8,12,17,22H,5-7,9-11,13H2,1H3;2-5,13,15H,6-12H2,1H3.
What are the key properties of 1-[3-(1-benzothiophen-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-6-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-naphthalen-1-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(1-benzothiophen-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-6-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-naphthalen-1-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1497.88 g/mol, XLogP of 14.62, 8 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzothiophen-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-6-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-naphthalen-1-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 163506618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).