1-[3-[2,4-difluoro-5-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C90H98F10N24O8 — CID 159241197

IUPAC1-[3-[2,4-difluoro-5-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cc(-c4cnn(C)c4)c(F)cc3F)nn2C2CCOC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cn(C)nc4C(F)(F)F)cc3)nn2C2CCOC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cn(C)nc4C(F)(F)F)cc3F)nn2C2CCOC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(F)c(-c4cnn(C)c4)c3)nn2C2CCOC2)C1
InChIInChI=1S/C23H24F4N6O2.C23H25F3N6O2.C22H24F2N6O2.C22H25FN6O2/c1-13(34)32-7-5-20-17(11-32)22(30-33(20)15-6-8-35-12-15)28-19-4-3-14(9-18(19)24)16-10-31(2)29-21(16)23(25,26)27;1-14(33)31-9-7-20-19(12-31)22(29-32(20)17-8-10-34-13-17)27-16-5-3-15(4-6-16)18-11-30(2)28-21(18)23(24,25)26;1-13(31)29-5-3-21-17(11-29)22(27-30(21)15-4-6-32-12-15)26-20-7-16(18(23)8-19(20)24)14-9-25-28(2)10-14;1-14(30)28-7-5-21-19(12-28)22(26-29(21)17-6-8-31-13-17)25-16-3-4-20(23)18(9-16)15-10-24-27(2)11-15/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,28,30);3-6,11,17H,7-10,12-13H2,1-2H3,(H,27,29);7-10,15H,3-6,11-12H2,1-2H3,(H,26,27);3-4,9-11,17H,5-8,12-13H2,1-2H3,(H,25,26)
InChIKeyKUCSLSFQKOKTQQ-UHFFFAOYSA-N
MW1833.91 g/mol
LogP14.17
Rot. Bonds16

About 1-[3-[2,4-difluoro-5-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[2,4-difluoro-5-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 159241197) has the molecular formula C90H98F10N24O8 and a molecular weight of 1833.91 g/mol. Its IUPAC name is 1-[3-[2,4-difluoro-5-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2,4-difluoro-5-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID159241197
Molecular FormulaC90H98F10N24O8
Molecular Weight1833.91 g/mol
Exact Mass1832.78
IUPAC Name1-[3-[2,4-difluoro-5-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cc(-c4cnn(C)c4)c(F)cc3F)nn2C2CCOC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cn(C)nc4C(F)(F)F)cc3)nn2C2CCOC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cn(C)nc4C(F)(F)F)cc3F)nn2C2CCOC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(F)c(-c4cnn(C)c4)c3)nn2C2CCOC2)C1
InChIInChI=1S/C23H24F4N6O2.C23H25F3N6O2.C22H24F2N6O2.C22H25FN6O2/c1-13(34)32-7-5-20-17(11-32)22(30-33(20)15-6-8-35-12-15)28-19-4-3-14(9-18(19)24)16-10-31(2)29-21(16)23(25,26)27;1-14(33)31-9-7-20-19(12-31)22(29-32(20)17-8-10-34-13-17)27-16-5-3-15(4-6-16)18-11-30(2)28-21(18)23(24,25)26;1-13(31)29-5-3-21-17(11-29)22(27-30(21)15-4-6-32-12-15)26-20-7-16(18(23)8-19(20)24)14-9-25-28(2)10-14;1-14(30)28-7-5-21-19(12-28)22(26-29(21)17-6-8-31-13-17)25-16-3-4-20(23)18(9-16)15-10-24-27(2)11-15/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,28,30);3-6,11,17H,7-10,12-13H2,1-2H3,(H,27,29);7-10,15H,3-6,11-12H2,1-2H3,(H,26,27);3-4,9-11,17H,5-8,12-13H2,1-2H3,(H,25,26)
InChIKeyKUCSLSFQKOKTQQ-UHFFFAOYSA-N
XLogP14.17
TPSA308.84 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001833.91
LogP ≤ 514.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 1-[3-[2,4-difluoro-5-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[[2-Fluoranyl-4-(1-Methylpyrazol-4-Yl)phenyl]amino]-1-[(3~{s})-Oxolan-3-Yl]-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridin-5-Yl]ethanone
CID 121372887
1-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121376807
US9763922, Example 254
CID 121372610
US9763922, Example 241
CID 121372619
US9763922, Example 298
CID 121372890
US9763922, Example 305
CID 121372893
US9763922, Example 292
CID 121372894
US9763922, Example 295
CID 121372900
US9763922, Example 296
CID 121372901
1-[3-[2-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-tetrahydrofuran-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372987
US9763922, Example 51
CID 121372988
US9763922, Example 53
CID 121372989

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2,4-difluoro-5-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[2,4-difluoro-5-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 159241197) is 1-[3-[2,4-difluoro-5-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-[2,4-difluoro-5-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[2,4-difluoro-5-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3cc(-c4cnn(C)c4)c(F)cc3F)nn2C2CCOC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cn(C)nc4C(F)(F)F)cc3)nn2C2CCOC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cn(C)nc4C(F)(F)F)cc3F)nn2C2CCOC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(F)c(-c4cnn(C)c4)c3)nn2C2CCOC2)C1.
What is the InChIKey of 1-[3-[2,4-difluoro-5-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is KUCSLSFQKOKTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N6O2.C23H25F3N6O2.C22H24F2N6O2.C22H25FN6O2/c1-13(34)32-7-5-20-17(11-32)22(30-33(20)15-6-8-35-12-15)28-19-4-3-14(9-18(19)24)16-10-31(2)29-21(16)23(25,26)27;1-14(33)31-9-7-20-19(12-31)22(29-32(20)17-8-10-34-13-17)27-16-5-3-15(4-6-16)18-11-30(2)28-21(18)23(24,25)26;1-13(31)29-5-3-21-17(11-29)22(27-30(21)15-4-6-32-12-15)26-20-7-16(18(23)8-19(20)24)14-9-25-28(2)10-14;1-14(30)28-7-5-21-19(12-28)22(26-29(21)17-6-8-31-13-17)25-16-3-4-20(23)18(9-16)15-10-24-27(2)11-15/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,28,30);3-6,11,17H,7-10,12-13H2,1-2H3,(H,27,29);7-10,15H,3-6,11-12H2,1-2H3,(H,26,27);3-4,9-11,17H,5-8,12-13H2,1-2H3,(H,25,26).
What are the key properties of 1-[3-[2,4-difluoro-5-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[2,4-difluoro-5-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1833.91 g/mol, XLogP of 14.17, 16 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2,4-difluoro-5-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 159241197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).