1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C85H96F3N19O8 — CID 163607065

About 1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 163607065) has the molecular formula C85H96F3N19O8 and a molecular weight of 1568.82 g/mol. Its IUPAC name is 1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 163607065
• Molecular Formula: C85H96F3N19O8
• Molecular Weight: 1568.82 g/mol
• Exact Mass: 1567.76
• IUPAC Name: 1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(-c3cccc4[nH]ccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4ccncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4nc(N)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(C3=CNC4N=CC(C(F)(F)F)=CC34)nn2C2CCOCC2)C1
• InChI: InChI=1S/C22H24N4O2.C21H24F3N5O2.C21H24N6O2.C21H24N4O2/c1-15(27)25-10-6-21-20(14-25)22(24-26(21)17-7-11-28-12-8-17)18-4-2-3-16-5-9-23-13-19(16)18;1-12(30)28-5-2-18-17(11-28)19(27-29(18)14-3-6-31-7-4-14)16-10-26-20-15(16)8-13(9-25-20)21(22,23)24;1-13(28)26-8-5-19-17(12-26)20(25-27(19)14-6-9-29-10-7-14)15-3-2-4-18-16(15)11-23-21(22)24-18;1-14(26)24-10-6-20-18(13-24)21(23-25(20)15-7-11-27-12-8-15)17-3-2-4-19-16(17)5-9-22-19/h2-5,9,13,17H,6-8,10-12,14H2,1H3;8-10,14-15,20,26H,2-7,11H2,1H3;2-4,11,14H,5-10,12H2,1H3,(H2,22,23,24);2-5,9,15,22H,6-8,10-13H2,1H3
• InChIKey: HCRPNONQGMOJRR-UHFFFAOYSA-N
• XLogP: 11.57
• TPSA: 294.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1568.82
LogP ≤ 5	11.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 163607065) is 1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3cccc4[nH]ccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4ccncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4nc(N)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(C3=CNC4N=CC(C(F)(F)F)=CC34)nn2C2CCOCC2)C1.

What is the InChIKey of 1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is HCRPNONQGMOJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2.C21H24F3N5O2.C21H24N6O2.C21H24N4O2/c1-15(27)25-10-6-21-20(14-25)22(24-26(21)17-7-11-28-12-8-17)18-4-2-3-16-5-9-23-13-19(16)18;1-12(30)28-5-2-18-17(11-28)19(27-29(18)14-3-6-31-7-4-14)16-10-26-20-15(16)8-13(9-25-20)21(22,23)24;1-13(28)26-8-5-19-17(12-26)20(25-27(19)14-6-9-29-10-7-14)15-3-2-4-18-16(15)11-23-21(22)24-18;1-14(26)24-10-6-20-18(13-24)21(23-25(20)15-7-11-27-12-8-15)17-3-2-4-19-16(17)5-9-22-19/h2-5,9,13,17H,6-8,10-12,14H2,1H3;8-10,14-15,20,26H,2-7,11H2,1H3;2-4,11,14H,5-10,12H2,1H3,(H2,22,23,24);2-5,9,15,22H,6-8,10-13H2,1H3.

What are the key properties of 1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1568.82 g/mol, XLogP of 11.57, 8 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 163607065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).