4-amino-2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-5-methyl-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

C₆₃H₅₇ClF₁₃N₂₃O₆ — CID 159840788

About 4-amino-2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-5-methyl-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

4-amino-2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-5-methyl-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 (PubChem CID 159840788) has the molecular formula C₆₃H₅₇ClF₁₃N₂₃O₆ and a molecular weight of 1514.73 g/mol. Its IUPAC name is 4-amino-2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-5-methyl-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.

Molecular Properties

• Compound Name: 4-amino-2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-5-methyl-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
• PubChem CID: 159840788
• Molecular Formula: C₆₃H₅₇ClF₁₃N₂₃O₆
• Molecular Weight: 1514.73 g/mol
• Exact Mass: 1513.43
• IUPAC Name: 4-amino-2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-5-methyl-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
• SMILES: CC1(C(=O)NC2CC2)C(=O)Nc2nc(-c3nn(CCC(F)(F)C(F)(F)F)c4cc(Cl)ccc34)nc(N)c21.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
• InChI: InChI=1S/C22H19ClF5N7O2.C21H19F5N8O2.C20H19F3N8O2/c1-20(18(36)30-10-3-4-10)13-15(29)31-17(32-16(13)33-19(20)37)14-11-5-2-9(23)8-12(11)35(34-14)7-6-21(24,25)22(26,27)28;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/h2,5,8,10H,3-4,6-7H2,1H3,(H,30,36)(H3,29,31,32,33,37);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: NOQNSLOYADUKOZ-UHFFFAOYSA-N
• XLogP: 8.26
• TPSA: 409.24 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1514.73
LogP ≤ 5	8.26
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

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-2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-5-methyl-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?

The IUPAC name of 4-amino-2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-5-methyl-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 (CID 159840788) is 4-amino-2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-5-methyl-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.

What is the SMILES notation for 4-amino-2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-5-methyl-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?

The canonical SMILES for 4-amino-2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-5-methyl-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 is CC1(C(=O)NC2CC2)C(=O)Nc2nc(-c3nn(CCC(F)(F)C(F)(F)F)c4cc(Cl)ccc34)nc(N)c21.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.

What is the InChIKey of 4-amino-2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-5-methyl-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?

The InChIKey is NOQNSLOYADUKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF5N7O2.C21H19F5N8O2.C20H19F3N8O2/c1-20(18(36)30-10-3-4-10)13-15(29)31-17(32-16(13)33-19(20)37)14-11-5-2-9(23)8-12(11)35(34-14)7-6-21(24,25)22(26,27)28;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/h2,5,8,10H,3-4,6-7H2,1H3,(H,30,36)(H3,29,31,32,33,37);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-2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-5-methyl-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?

4-amino-2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-5-methyl-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 has a molecular weight of 1514.73 g/mol, XLogP of 8.26, 17 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-[6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazol-3-yl]-N-cyclopropyl-5-methyl-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 is sourced from PubChem (CID 159840788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159840788 — identifiers, structure, computed properties (public domain)

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