1-[1-(4-ethylsulfonylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methoxyphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(5-methylfuran-2-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;4-[7-(2-phenylacetyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]benzonitrile

C119H107N21O9S — CID 157090808

IUPAC1-[1-(4-ethylsulfonylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methoxyphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(5-methylfuran-2-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;4-[7-(2-phenylacetyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]benzonitrile
SMILESCCS(=O)(=O)c1ccc(-c2[nH]nc3ncc4c(c23)CCN(C(=O)Cc2ccccc2)C4)cc1.COc1cccc(-c2[nH]nc3ncc4c(c23)CCN(C(=O)Cc2ccccc2)C4)c1.Cc1ccc(-c2[nH]nc3ncc4c(c23)CCN(C(=O)Cc2ccccc2)C4)o1.Cc1cccc(-c2[nH]nc3ncc4c(c23)CCN(C(=O)Cc2ccccc2)C4)c1.N#Cc1ccc(-c2[nH]nc3ncc4c(c23)CCN(C(=O)Cc2ccccc2)C4)cc1
InChIInChI=1S/C25H24N4O3S.C24H19N5O.C24H22N4O2.C24H22N4O.C22H20N4O2/c1-2-33(31,32)20-10-8-18(9-11-20)24-23-21-12-13-29(16-19(21)15-26-25(23)28-27-24)22(30)14-17-6-4-3-5-7-17;25-13-17-6-8-18(9-7-17)23-22-20-10-11-29(15-19(20)14-26-24(22)28-27-23)21(30)12-16-4-2-1-3-5-16;1-30-19-9-5-8-17(13-19)23-22-20-10-11-28(15-18(20)14-25-24(22)27-26-23)21(29)12-16-6-3-2-4-7-16;1-16-6-5-9-18(12-16)23-22-20-10-11-28(15-19(20)14-25-24(22)27-26-23)21(29)13-17-7-3-2-4-8-17;1-14-7-8-18(28-14)21-20-17-9-10-26(13-16(17)12-23-22(20)25-24-21)19(27)11-15-5-3-2-4-6-15/h3-11,15H,2,12-14,16H2,1H3,(H,26,27,28);1-9,14H,10-12,15H2,(H,26,27,28);2-9,13-14H,10-12,15H2,1H3,(H,25,26,27);2-9,12,14H,10-11,13,15H2,1H3,(H,25,26,27);2-8,12H,9-11,13H2,1H3,(H,23,24,25)
InChIKeyAEQFWRDEGDLNQH-UHFFFAOYSA-N
MW2007.37 g/mol
LogP18.65
Rot. Bonds18

About 1-[1-(4-ethylsulfonylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methoxyphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(5-methylfuran-2-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;4-[7-(2-phenylacetyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]benzonitrile

1-[1-(4-ethylsulfonylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methoxyphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(5-methylfuran-2-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;4-[7-(2-phenylacetyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]benzonitrile (PubChem CID 157090808) has the molecular formula C119H107N21O9S and a molecular weight of 2007.37 g/mol. Its IUPAC name is 1-[1-(4-ethylsulfonylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methoxyphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(5-methylfuran-2-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;4-[7-(2-phenylacetyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]benzonitrile.

Molecular Properties

Compound Name1-[1-(4-ethylsulfonylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methoxyphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(5-methylfuran-2-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;4-[7-(2-phenylacetyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]benzonitrile
PubChem CID157090808
Molecular FormulaC119H107N21O9S
Molecular Weight2007.37 g/mol
Exact Mass2005.83
IUPAC Name1-[1-(4-ethylsulfonylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methoxyphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(5-methylfuran-2-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;4-[7-(2-phenylacetyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]benzonitrile
SMILESCCS(=O)(=O)c1ccc(-c2[nH]nc3ncc4c(c23)CCN(C(=O)Cc2ccccc2)C4)cc1.COc1cccc(-c2[nH]nc3ncc4c(c23)CCN(C(=O)Cc2ccccc2)C4)c1.Cc1ccc(-c2[nH]nc3ncc4c(c23)CCN(C(=O)Cc2ccccc2)C4)o1.Cc1cccc(-c2[nH]nc3ncc4c(c23)CCN(C(=O)Cc2ccccc2)C4)c1.N#Cc1ccc(-c2[nH]nc3ncc4c(c23)CCN(C(=O)Cc2ccccc2)C4)cc1
InChIInChI=1S/C25H24N4O3S.C24H19N5O.C24H22N4O2.C24H22N4O.C22H20N4O2/c1-2-33(31,32)20-10-8-18(9-11-20)24-23-21-12-13-29(16-19(21)15-26-25(23)28-27-24)22(30)14-17-6-4-3-5-7-17;25-13-17-6-8-18(9-7-17)23-22-20-10-11-29(15-19(20)14-26-24(22)28-27-23)21(30)12-16-4-2-1-3-5-16;1-30-19-9-5-8-17(13-19)23-22-20-10-11-28(15-18(20)14-25-24(22)27-26-23)21(29)12-16-6-3-2-4-7-16;1-16-6-5-9-18(12-16)23-22-20-10-11-28(15-19(20)14-25-24(22)27-26-23)21(29)13-17-7-3-2-4-8-17;1-14-7-8-18(28-14)21-20-17-9-10-26(13-16(17)12-23-22(20)25-24-21)19(27)11-15-5-3-2-4-6-15/h3-11,15H,2,12-14,16H2,1H3,(H,26,27,28);1-9,14H,10-12,15H2,(H,26,27,28);2-9,13-14H,10-12,15H2,1H3,(H,25,26,27);2-9,12,14H,10-11,13,15H2,1H3,(H,25,26,27);2-8,12H,9-11,13H2,1H3,(H,23,24,25)
InChIKeyAEQFWRDEGDLNQH-UHFFFAOYSA-N
XLogP18.65
TPSA389.70 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002007.37
LogP ≤ 518.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 1-[1-(4-ethylsulfonylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methoxyphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(5-methylfuran-2-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;4-[7-(2-phenylacetyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylsulfonylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methoxyphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(5-methylfuran-2-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;4-[7-(2-phenylacetyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]benzonitrile?
The IUPAC name of 1-[1-(4-ethylsulfonylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methoxyphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(5-methylfuran-2-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;4-[7-(2-phenylacetyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]benzonitrile (CID 157090808) is 1-[1-(4-ethylsulfonylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methoxyphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(5-methylfuran-2-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;4-[7-(2-phenylacetyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]benzonitrile.
What is the SMILES notation for 1-[1-(4-ethylsulfonylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methoxyphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(5-methylfuran-2-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;4-[7-(2-phenylacetyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]benzonitrile?
The canonical SMILES for 1-[1-(4-ethylsulfonylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methoxyphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(5-methylfuran-2-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;4-[7-(2-phenylacetyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]benzonitrile is CCS(=O)(=O)c1ccc(-c2[nH]nc3ncc4c(c23)CCN(C(=O)Cc2ccccc2)C4)cc1.COc1cccc(-c2[nH]nc3ncc4c(c23)CCN(C(=O)Cc2ccccc2)C4)c1.Cc1ccc(-c2[nH]nc3ncc4c(c23)CCN(C(=O)Cc2ccccc2)C4)o1.Cc1cccc(-c2[nH]nc3ncc4c(c23)CCN(C(=O)Cc2ccccc2)C4)c1.N#Cc1ccc(-c2[nH]nc3ncc4c(c23)CCN(C(=O)Cc2ccccc2)C4)cc1.
What is the InChIKey of 1-[1-(4-ethylsulfonylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methoxyphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(5-methylfuran-2-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;4-[7-(2-phenylacetyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]benzonitrile?
The InChIKey is AEQFWRDEGDLNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S.C24H19N5O.C24H22N4O2.C24H22N4O.C22H20N4O2/c1-2-33(31,32)20-10-8-18(9-11-20)24-23-21-12-13-29(16-19(21)15-26-25(23)28-27-24)22(30)14-17-6-4-3-5-7-17;25-13-17-6-8-18(9-7-17)23-22-20-10-11-29(15-19(20)14-26-24(22)28-27-23)21(30)12-16-4-2-1-3-5-16;1-30-19-9-5-8-17(13-19)23-22-20-10-11-28(15-18(20)14-25-24(22)27-26-23)21(29)12-16-6-3-2-4-7-16;1-16-6-5-9-18(12-16)23-22-20-10-11-28(15-19(20)14-25-24(22)27-26-23)21(29)13-17-7-3-2-4-8-17;1-14-7-8-18(28-14)21-20-17-9-10-26(13-16(17)12-23-22(20)25-24-21)19(27)11-15-5-3-2-4-6-15/h3-11,15H,2,12-14,16H2,1H3,(H,26,27,28);1-9,14H,10-12,15H2,(H,26,27,28);2-9,13-14H,10-12,15H2,1H3,(H,25,26,27);2-9,12,14H,10-11,13,15H2,1H3,(H,25,26,27);2-8,12H,9-11,13H2,1H3,(H,23,24,25).
What are the key properties of 1-[1-(4-ethylsulfonylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methoxyphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(5-methylfuran-2-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;4-[7-(2-phenylacetyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]benzonitrile?
1-[1-(4-ethylsulfonylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methoxyphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(5-methylfuran-2-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;4-[7-(2-phenylacetyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]benzonitrile has a molecular weight of 2007.37 g/mol, XLogP of 18.65, 18 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylsulfonylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methoxyphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(5-methylfuran-2-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(3-methylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;4-[7-(2-phenylacetyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]benzonitrile is sourced from PubChem (CID 157090808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).