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

C110H125F9N30O10 — CID 158109558

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

1-[3-[2,3-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,6-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(1-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(3-methyloxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(1-hydroxypropan-2-yl)-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 158109558) has the molecular formula C110H125F9N30O10 and a molecular weight of 2198.39 g/mol. Its IUPAC name is 1-[3-[2,3-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,6-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(1-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(3-methyloxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(1-hydroxypropan-2-yl)-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[2,3-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,6-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(1-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(3-methyloxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(1-hydroxypropan-2-yl)-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 158109558
• Molecular Formula: C110H125F9N30O10
• Molecular Weight: 2198.39 g/mol
• Exact Mass: 2197.01
• IUPAC Name: 1-[3-[2,3-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,6-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(1-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(3-methyloxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(1-hydroxypropan-2-yl)-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(Nc3c(F)ccc(-c4cnn(C)c4)c3F)nn2C2CCOC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cn(C)nc4C(F)(F)F)cc3)nn2C(C)CO)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)c(F)c3)nn2C(C)CO)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)c(F)c3F)nn2C2CCOC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3F)nn2C2(C)CCOC2)C1
• InChI: InChI=1S/C23H27FN6O2.C22H25F3N6O2.2C22H24F2N6O2.C21H25FN6O2/c1-15(31)29-8-6-21-18(13-29)22(27-30(21)23(2)7-9-32-14-23)26-20-5-4-16(10-19(20)24)17-11-25-28(3)12-17;1-13(12-32)31-19-8-9-30(14(2)33)11-18(19)21(28-31)26-16-6-4-15(5-7-16)17-10-29(3)27-20(17)22(23,24)25;1-13(31)29-7-5-19-17(11-29)22(27-30(19)15-6-8-32-12-15)26-18-4-3-16(20(23)21(18)24)14-9-25-28(2)10-14;1-13(31)29-7-5-19-17(11-29)22(27-30(19)15-6-8-32-12-15)26-21-18(23)4-3-16(20(21)24)14-9-25-28(2)10-14;1-13(12-29)28-20-6-7-27(14(2)30)11-18(20)21(25-28)24-16-4-5-17(19(22)8-16)15-9-23-26(3)10-15/h4-5,10-12H,6-9,13-14H2,1-3H3,(H,26,27);4-7,10,13,32H,8-9,11-12H2,1-3H3,(H,26,28);2*3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,26,27);4-5,8-10,13,29H,6-7,11-12H2,1-3H3,(H,24,25)
• InChIKey: FQGIILSPNWLFTF-UHFFFAOYSA-N
• XLogP: 15.68
• TPSA: 408.05 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2198.39
LogP ≤ 5	15.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2,3-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,6-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(1-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(3-methyloxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(1-hydroxypropan-2-yl)-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 1-[3-[2,3-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,6-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(1-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(3-methyloxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(1-hydroxypropan-2-yl)-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 158109558) is 1-[3-[2,3-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,6-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(1-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(3-methyloxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(1-hydroxypropan-2-yl)-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 1-[3-[2,3-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,6-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(1-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(3-methyloxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(1-hydroxypropan-2-yl)-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[3-[2,3-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,6-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(1-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(3-methyloxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(1-hydroxypropan-2-yl)-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3c(F)ccc(-c4cnn(C)c4)c3F)nn2C2CCOC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cn(C)nc4C(F)(F)F)cc3)nn2C(C)CO)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)c(F)c3)nn2C(C)CO)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)c(F)c3F)nn2C2CCOC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3F)nn2C2(C)CCOC2)C1.

What is the InChIKey of 1-[3-[2,3-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,6-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(1-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(3-methyloxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(1-hydroxypropan-2-yl)-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is FQGIILSPNWLFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O2.C22H25F3N6O2.2C22H24F2N6O2.C21H25FN6O2/c1-15(31)29-8-6-21-18(13-29)22(27-30(21)23(2)7-9-32-14-23)26-20-5-4-16(10-19(20)24)17-11-25-28(3)12-17;1-13(12-32)31-19-8-9-30(14(2)33)11-18(19)21(28-31)26-16-6-4-15(5-7-16)17-10-29(3)27-20(17)22(23,24)25;1-13(31)29-7-5-19-17(11-29)22(27-30(19)15-6-8-32-12-15)26-18-4-3-16(20(23)21(18)24)14-9-25-28(2)10-14;1-13(31)29-7-5-19-17(11-29)22(27-30(19)15-6-8-32-12-15)26-21-18(23)4-3-16(20(21)24)14-9-25-28(2)10-14;1-13(12-29)28-20-6-7-27(14(2)30)11-18(20)21(25-28)24-16-4-5-17(19(22)8-16)15-9-23-26(3)10-15/h4-5,10-12H,6-9,13-14H2,1-3H3,(H,26,27);4-7,10,13,32H,8-9,11-12H2,1-3H3,(H,26,28);2*3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,26,27);4-5,8-10,13,29H,6-7,11-12H2,1-3H3,(H,24,25).

What are the key properties of 1-[3-[2,3-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,6-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(1-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(3-methyloxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(1-hydroxypropan-2-yl)-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

1-[3-[2,3-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,6-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(1-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(3-methyloxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(1-hydroxypropan-2-yl)-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 2198.39 g/mol, XLogP of 15.68, 22 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2,3-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,6-difluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(1-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(3-methyloxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(1-hydroxypropan-2-yl)-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 158109558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).