3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-difluorophenyl)methanamine;N-[(3,5-difluorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methylpyrimidin-4-amine;ethyl 3-oxobutanoate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-1H-pyrimidin-6-one;phosphoryl trichloride

C88H75Cl4F8N22O5P — CID 159802283

About 3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-difluorophenyl)methanamine;N-[(3,5-difluorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methylpyrimidin-4-amine;ethyl 3-oxobutanoate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-1H-pyrimidin-6-one;phosphoryl trichloride

3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-difluorophenyl)methanamine;N-[(3,5-difluorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methylpyrimidin-4-amine;ethyl 3-oxobutanoate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-1H-pyrimidin-6-one;phosphoryl trichloride (PubChem CID 159802283) has the molecular formula C88H75Cl4F8N22O5P and a molecular weight of 1845.49 g/mol. Its IUPAC name is 3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-difluorophenyl)methanamine;N-[(3,5-difluorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methylpyrimidin-4-amine;ethyl 3-oxobutanoate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-1H-pyrimidin-6-one;phosphoryl trichloride.

Molecular Properties

• Compound Name: 3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-difluorophenyl)methanamine;N-[(3,5-difluorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methylpyrimidin-4-amine;ethyl 3-oxobutanoate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-1H-pyrimidin-6-one;phosphoryl trichloride
• PubChem CID: 159802283
• Molecular Formula: C88H75Cl4F8N22O5P
• Molecular Weight: 1845.49 g/mol
• Exact Mass: 1842.47
• IUPAC Name: 3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-difluorophenyl)methanamine;N-[(3,5-difluorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methylpyrimidin-4-amine;ethyl 3-oxobutanoate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-1H-pyrimidin-6-one;phosphoryl trichloride
• SMILES: CCOC(=O)CC(C)=O.Cc1cc(=O)[nH]c(-c2nn(Cc3ccccc3F)c3ncccc23)n1.Cc1cc(Cl)nc(-c2nn(Cc3ccccc3F)c3ncccc23)n1.Cc1cc(NCc2cc(F)cc(F)c2)nc(-c2nn(Cc3ccccc3F)c3ncccc23)n1.NCc1cc(F)cc(F)c1.O=P(Cl)(Cl)Cl.[H]/N=C(\N)c1nn(Cc2ccccc2F)c2ncccc12
• InChI: InChI=1S/C25H19F3N6.C18H13ClFN5.C18H14FN5O.C14H12FN5.C7H7F2N.C6H10O3.Cl3OP/c1-15-9-22(30-13-16-10-18(26)12-19(27)11-16)32-24(31-15)23-20-6-4-8-29-25(20)34(33-23)14-17-5-2-3-7-21(17)28;1-11-9-15(19)23-17(22-11)16-13-6-4-8-21-18(13)25(24-16)10-12-5-2-3-7-14(12)20;1-11-9-15(25)22-17(21-11)16-13-6-4-8-20-18(13)24(23-16)10-12-5-2-3-7-14(12)19;15-11-6-2-1-4-9(11)8-20-14-10(5-3-7-18-14)12(19-20)13(16)17;8-6-1-5(4-10)2-7(9)3-6;1-3-9-6(8)4-5(2)7;1-5(2,3)4/h2-12H,13-14H2,1H3,(H,30,31,32);2-9H,10H2,1H3;2-9H,10H2,1H3,(H,21,22,25);1-7H,8H2,(H3,16,17);1-3H,4,10H2;3-4H2,1-2H3
• InChIKey: NJYFBLDNJOKXDZ-UHFFFAOYSA-N
• XLogP: 18.66
• TPSA: 368.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1845.49
LogP ≤ 5	18.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-difluorophenyl)methanamine;N-[(3,5-difluorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methylpyrimidin-4-amine;ethyl 3-oxobutanoate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-1H-pyrimidin-6-one;phosphoryl trichloride?

The IUPAC name of 3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-difluorophenyl)methanamine;N-[(3,5-difluorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methylpyrimidin-4-amine;ethyl 3-oxobutanoate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-1H-pyrimidin-6-one;phosphoryl trichloride (CID 159802283) is 3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-difluorophenyl)methanamine;N-[(3,5-difluorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methylpyrimidin-4-amine;ethyl 3-oxobutanoate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-1H-pyrimidin-6-one;phosphoryl trichloride.

What is the SMILES notation for 3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-difluorophenyl)methanamine;N-[(3,5-difluorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methylpyrimidin-4-amine;ethyl 3-oxobutanoate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-1H-pyrimidin-6-one;phosphoryl trichloride?

The canonical SMILES for 3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-difluorophenyl)methanamine;N-[(3,5-difluorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methylpyrimidin-4-amine;ethyl 3-oxobutanoate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-1H-pyrimidin-6-one;phosphoryl trichloride is CCOC(=O)CC(C)=O.Cc1cc(=O)[nH]c(-c2nn(Cc3ccccc3F)c3ncccc23)n1.Cc1cc(Cl)nc(-c2nn(Cc3ccccc3F)c3ncccc23)n1.Cc1cc(NCc2cc(F)cc(F)c2)nc(-c2nn(Cc3ccccc3F)c3ncccc23)n1.NCc1cc(F)cc(F)c1.O=P(Cl)(Cl)Cl.[H]/N=C(\N)c1nn(Cc2ccccc2F)c2ncccc12.

What is the InChIKey of 3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-difluorophenyl)methanamine;N-[(3,5-difluorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methylpyrimidin-4-amine;ethyl 3-oxobutanoate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-1H-pyrimidin-6-one;phosphoryl trichloride?

The InChIKey is NJYFBLDNJOKXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6.C18H13ClFN5.C18H14FN5O.C14H12FN5.C7H7F2N.C6H10O3.Cl3OP/c1-15-9-22(30-13-16-10-18(26)12-19(27)11-16)32-24(31-15)23-20-6-4-8-29-25(20)34(33-23)14-17-5-2-3-7-21(17)28;1-11-9-15(19)23-17(22-11)16-13-6-4-8-21-18(13)25(24-16)10-12-5-2-3-7-14(12)20;1-11-9-15(25)22-17(21-11)16-13-6-4-8-20-18(13)24(23-16)10-12-5-2-3-7-14(12)19;15-11-6-2-1-4-9(11)8-20-14-10(5-3-7-18-14)12(19-20)13(16)17;8-6-1-5(4-10)2-7(9)3-6;1-3-9-6(8)4-5(2)7;1-5(2,3)4/h2-12H,13-14H2,1H3,(H,30,31,32);2-9H,10H2,1H3;2-9H,10H2,1H3,(H,21,22,25);1-7H,8H2,(H3,16,17);1-3H,4,10H2;3-4H2,1-2H3;.

What are the key properties of 3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-difluorophenyl)methanamine;N-[(3,5-difluorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methylpyrimidin-4-amine;ethyl 3-oxobutanoate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-1H-pyrimidin-6-one;phosphoryl trichloride?

3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-difluorophenyl)methanamine;N-[(3,5-difluorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methylpyrimidin-4-amine;ethyl 3-oxobutanoate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-1H-pyrimidin-6-one;phosphoryl trichloride has a molecular weight of 1845.49 g/mol, XLogP of 18.66, 19 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-difluorophenyl)methanamine;N-[(3,5-difluorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methylpyrimidin-4-amine;ethyl 3-oxobutanoate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-1H-pyrimidin-6-one;phosphoryl trichloride is sourced from PubChem (CID 159802283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).