4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-4,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

C64H58ClF13N22O6 — CID 160576090

About 4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-4,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-4,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 160576090) has the molecular formula C64H58ClF13N22O6 and a molecular weight of 1513.74 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-4,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-4,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 160576090
• Molecular Formula: C64H58ClF13N22O6
• Molecular Weight: 1513.74 g/mol
• Exact Mass: 1512.44
• IUPAC Name: 4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-4,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
• SMILES: CC1(C(=O)NC2CC2)C(=O)Nc2nc(-c3nn(CCC(F)(F)C(F)(F)F)c4ncccc34)nc(N)c21.CC1(C(=O)NC2CC2)C(=O)Nc2nc(-c3nn(CCC(F)(F)F)c4ncccc34)nc(N)c21.Cc1nc(-c2nn(CCC(F)(F)C(F)(F)F)c3cc(Cl)ccc23)nc2c1C(C)(C(=O)NC1CC1)C(=O)N2
• InChI: InChI=1S/C23H20ClF5N6O2.C21H19F5N8O2.C20H19F3N8O2/c1-10-15-17(33-20(37)21(15,2)19(36)31-12-4-5-12)32-18(30-10)16-13-6-3-11(24)9-14(13)35(34-16)8-7-22(25,26)23(27,28)29;1-19(17(35)29-9-4-5-9)11-13(27)30-15(31-14(11)32-18(19)36)12-10-3-2-7-28-16(10)34(33-12)8-6-20(22,23)21(24,25)26;1-19(17(32)26-9-4-5-9)11-13(24)27-15(28-14(11)29-18(19)33)12-10-3-2-7-25-16(10)31(30-12)8-6-20(21,22)23/h3,6,9,12H,4-5,7-8H2,1-2H3,(H,31,36)(H,30,32,33,37);2-3,7,9H,4-6,8H2,1H3,(H,29,35)(H3,27,30,31,32,36);2-3,7,9H,4-6,8H2,1H3,(H,26,32)(H3,24,27,28,29,33)
• InChIKey: RBEAMYFHBBOHOY-UHFFFAOYSA-N
• XLogP: 8.99
• TPSA: 383.22 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1513.74
LogP ≤ 5	8.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-4,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of 4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-4,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 160576090) is 4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-4,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for 4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-4,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for 4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-4,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is CC1(C(=O)NC2CC2)C(=O)Nc2nc(-c3nn(CCC(F)(F)C(F)(F)F)c4ncccc34)nc(N)c21.CC1(C(=O)NC2CC2)C(=O)Nc2nc(-c3nn(CCC(F)(F)F)c4ncccc34)nc(N)c21.Cc1nc(-c2nn(CCC(F)(F)C(F)(F)F)c3cc(Cl)ccc23)nc2c1C(C)(C(=O)NC1CC1)C(=O)N2.

What is the InChIKey of 4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-4,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is RBEAMYFHBBOHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF5N6O2.C21H19F5N8O2.C20H19F3N8O2/c1-10-15-17(33-20(37)21(15,2)19(36)31-12-4-5-12)32-18(30-10)16-13-6-3-11(24)9-14(13)35(34-16)8-7-22(25,26)23(27,28)29;1-19(17(35)29-9-4-5-9)11-13(27)30-15(31-14(11)32-18(19)36)12-10-3-2-7-28-16(10)34(33-12)8-6-20(22,23)21(24,25)26;1-19(17(32)26-9-4-5-9)11-13(24)27-15(28-14(11)29-18(19)33)12-10-3-2-7-25-16(10)31(30-12)8-6-20(21,22)23/h3,6,9,12H,4-5,7-8H2,1-2H3,(H,31,36)(H,30,32,33,37);2-3,7,9H,4-6,8H2,1H3,(H,29,35)(H3,27,30,31,32,36);2-3,7,9H,4-6,8H2,1H3,(H,26,32)(H3,24,27,28,29,33).

What are the key properties of 4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-4,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?

4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-4,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 1513.74 g/mol, XLogP of 8.99, 17 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-N-cyclopropyl-5-methyl-6-oxo-2-[1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-4,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 160576090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).