4-amino-3-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(3-fluoro-3-methylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

C92H106F12N24O4 — CID 159652728

About 4-amino-3-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(3-fluoro-3-methylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

4-amino-3-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(3-fluoro-3-methylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 159652728) has the molecular formula C92H106F12N24O4 and a molecular weight of 1844.02 g/mol. Its IUPAC name is 4-amino-3-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(3-fluoro-3-methylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 4-amino-3-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(3-fluoro-3-methylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 159652728
• Molecular Formula: C92H106F12N24O4
• Molecular Weight: 1844.02 g/mol
• Exact Mass: 1842.89
• IUPAC Name: 4-amino-3-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(3-fluoro-3-methylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: CC(=O)C(=C(C)N)c1cnc2c(-c3cnn(C)c3)nn(CC3CC(C)(F)C3)c2c1.CC(=O)C(=C(C)N)c1cnc2c(-c3cnn(CC(F)(F)F)c3)nn(CC3CCC(C)(F)CC3)c2c1.[2H]C([2H])(C1CCC(C)(F)CC1)n1nc(-c2cnn(C(F)F)c2)c2ncc(C(C(C)=O)=C(C)N)cc21.[2H]C([2H])(C1CCC(C)(F)CC1)n1nc(-c2cnn(CC(F)(F)F)c2)c2ncc(-c3c(C)noc3C)cc21
• InChI: InChI=1S/C24H26F4N6O.C24H28F4N6O.C23H27F3N6O.C21H25FN6O/c1-14-20(15(2)35-32-14)17-8-19-22(29-9-17)21(18-10-30-33(12-18)13-24(26,27)28)31-34(19)11-16-4-6-23(3,25)7-5-16;1-14(29)20(15(2)35)17-8-19-22(30-9-17)21(18-10-31-33(12-18)13-24(26,27)28)32-34(19)11-16-4-6-23(3,25)7-5-16;1-13(27)19(14(2)33)16-8-18-21(28-9-16)20(17-10-29-32(12-17)22(24)25)30-31(18)11-15-4-6-23(3,26)7-5-15;1-12(23)18(13(2)29)15-5-17-20(24-8-15)19(16-9-25-27(4)11-16)26-28(17)10-14-6-21(3,22)7-14/h8-10,12,16H,4-7,11,13H2,1-3H3;8-10,12,16H,4-7,11,13,29H2,1-3H3;8-10,12,15,22H,4-7,11,27H2,1-3H3;5,8-9,11,14H,6-7,10,23H2,1-4H3/i11D2;;11D2
• InChIKey: MTBCYTALXZLQDV-QQHWNHPMSA-N
• XLogP: 19.24
• TPSA: 349.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1844.02
LogP ≤ 5	19.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(3-fluoro-3-methylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 4-amino-3-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(3-fluoro-3-methylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (CID 159652728) is 4-amino-3-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(3-fluoro-3-methylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 4-amino-3-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(3-fluoro-3-methylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 4-amino-3-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(3-fluoro-3-methylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is CC(=O)C(=C(C)N)c1cnc2c(-c3cnn(C)c3)nn(CC3CC(C)(F)C3)c2c1.CC(=O)C(=C(C)N)c1cnc2c(-c3cnn(CC(F)(F)F)c3)nn(CC3CCC(C)(F)CC3)c2c1.[2H]C([2H])(C1CCC(C)(F)CC1)n1nc(-c2cnn(C(F)F)c2)c2ncc(C(C(C)=O)=C(C)N)cc21.[2H]C([2H])(C1CCC(C)(F)CC1)n1nc(-c2cnn(CC(F)(F)F)c2)c2ncc(-c3c(C)noc3C)cc21.

What is the InChIKey of 4-amino-3-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(3-fluoro-3-methylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is MTBCYTALXZLQDV-QQHWNHPMSA-N. The full InChI is InChI=1S/C24H26F4N6O.C24H28F4N6O.C23H27F3N6O.C21H25FN6O/c1-14-20(15(2)35-32-14)17-8-19-22(29-9-17)21(18-10-30-33(12-18)13-24(26,27)28)31-34(19)11-16-4-6-23(3,25)7-5-16;1-14(29)20(15(2)35)17-8-19-22(30-9-17)21(18-10-31-33(12-18)13-24(26,27)28)32-34(19)11-16-4-6-23(3,25)7-5-16;1-13(27)19(14(2)33)16-8-18-21(28-9-16)20(17-10-29-32(12-17)22(24)25)30-31(18)11-15-4-6-23(3,26)7-5-15;1-12(23)18(13(2)29)15-5-17-20(24-8-15)19(16-9-25-27(4)11-16)26-28(17)10-14-6-21(3,22)7-14/h8-10,12,16H,4-7,11,13H2,1-3H3;8-10,12,16H,4-7,11,13,29H2,1-3H3;8-10,12,15,22H,4-7,11,27H2,1-3H3;5,8-9,11,14H,6-7,10,23H2,1-4H3/i11D2;;11D2;.

What are the key properties of 4-amino-3-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(3-fluoro-3-methylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?

4-amino-3-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(3-fluoro-3-methylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1844.02 g/mol, XLogP of 19.24, 22 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(3-fluoro-3-methylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-amino-3-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]pent-3-en-2-one;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 159652728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).