2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)indazol-1-yl]propan-1-one;N-(1,3-dimethylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-(1-ethyl-3-methylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(2-methylprop-2-enyl)indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-pentylindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-propylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[1-[(3-methyl-2H-pyrrol-5-yl)methyl]indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine

C138H133F2N53O — CID 161346069

About 2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)indazol-1-yl]propan-1-one;N-(1,3-dimethylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-(1-ethyl-3-methylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(2-methylprop-2-enyl)indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-pentylindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-propylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[1-[(3-methyl-2H-pyrrol-5-yl)methyl]indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine

2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)indazol-1-yl]propan-1-one;N-(1,3-dimethylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-(1-ethyl-3-methylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(2-methylprop-2-enyl)indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-pentylindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-propylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[1-[(3-methyl-2H-pyrrol-5-yl)methyl]indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine (PubChem CID 161346069) has the molecular formula C138H133F2N53O and a molecular weight of 2587.95 g/mol. Its IUPAC name is 2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)indazol-1-yl]propan-1-one;N-(1,3-dimethylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-(1-ethyl-3-methylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(2-methylprop-2-enyl)indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-pentylindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-propylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[1-[(3-methyl-2H-pyrrol-5-yl)methyl]indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine.

Molecular Properties

• Compound Name: 2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)indazol-1-yl]propan-1-one;N-(1,3-dimethylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-(1-ethyl-3-methylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(2-methylprop-2-enyl)indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-pentylindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-propylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[1-[(3-methyl-2H-pyrrol-5-yl)methyl]indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine
• PubChem CID: 161346069
• Molecular Formula: C138H133F2N53O
• Molecular Weight: 2587.95 g/mol
• Exact Mass: 2586.20
• IUPAC Name: 2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)indazol-1-yl]propan-1-one;N-(1,3-dimethylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-(1-ethyl-3-methylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(2-methylprop-2-enyl)indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-pentylindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-propylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[1-[(3-methyl-2H-pyrrol-5-yl)methyl]indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine
• SMILES: C=C(C)Cn1nc(C)c2cc(NC3=NCc4nccnc43)ccc21.CC1=CC(Cn2ncc3cc(NC4=NCc5nccnc54)ccc32)=NC1.CCCCCn1cc(C)c2cc(Nc3[nH]nc4nccnc34)ccc21.CCCn1nc(C)c2cc(NC3=NCc4nccnc43)ccc21.CCn1nc(C)c2cc(NC3=NCc4nccnc43)ccc21.Cc1ccnc(-n2nc(C)c3cc(Nc4[nH]nc5nccnc45)cnc32)c1.Cc1nn(C(=O)C(C)(F)F)c2ccc(Nc3[nH]nc4ncncc34)cc12.Cc1nn(C)c2ccc(NC3=NCc4nccnc43)cc12
• InChI: InChI=1S/C19H17N7.C19H22N6.C18H15N9.C18H18N6.C17H18N6.C16H13F2N7O.C16H16N6.C15H14N6/c1-12-6-15(22-8-12)11-26-17-3-2-14(7-13(17)9-24-26)25-19-18-16(10-23-19)20-4-5-21-18;1-3-4-5-10-25-12-13(2)15-11-14(6-7-16(15)25)22-19-17-18(23-24-19)21-9-8-20-17;1-10-3-4-19-14(7-10)27-18-13(11(2)26-27)8-12(9-22-18)23-17-15-16(24-25-17)21-6-5-20-15;1-11(2)10-24-16-5-4-13(8-14(16)12(3)23-24)22-18-17-15(9-21-18)19-6-7-20-17;1-3-8-23-15-5-4-12(9-13(15)11(2)22-23)21-17-16-14(10-20-17)18-6-7-19-16;1-8-10-5-9(21-14-11-6-19-7-20-13(11)22-23-14)3-4-12(10)25(24-8)15(26)16(2,17)18;1-3-22-14-5-4-11(8-12(14)10(2)21-22)20-16-15-13(9-19-16)17-6-7-18-15;1-9-11-7-10(3-4-13(11)21(2)20-9)19-15-14-12(8-18-15)16-5-6-17-14/h2-7,9H,8,10-11H2,1H3,(H,23,25);6-9,11-12H,3-5,10H2,1-2H3,(H2,21,22,23,24);3-9H,1-2H3,(H2,21,23,24,25);4-8H,1,9-10H2,2-3H3,(H,21,22);4-7,9H,3,8,10H2,1-2H3,(H,20,21);3-7H,1-2H3,(H2,19,20,21,22,23);4-8H,3,9H2,1-2H3,(H,19,20);3-7H,8H2,1-2H3,(H,18,19)
• InChIKey: VNHOONKLLHUPMK-UHFFFAOYSA-N
• XLogP: 23.61
• TPSA: 635.20 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 51
• Rotatable Bonds: 24
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2587.95
LogP ≤ 5	23.61
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)indazol-1-yl]propan-1-one;N-(1,3-dimethylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-(1-ethyl-3-methylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(2-methylprop-2-enyl)indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-pentylindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-propylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[1-[(3-methyl-2H-pyrrol-5-yl)methyl]indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine?

The IUPAC name of 2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)indazol-1-yl]propan-1-one;N-(1,3-dimethylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-(1-ethyl-3-methylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(2-methylprop-2-enyl)indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-pentylindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-propylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[1-[(3-methyl-2H-pyrrol-5-yl)methyl]indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine (CID 161346069) is 2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)indazol-1-yl]propan-1-one;N-(1,3-dimethylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-(1-ethyl-3-methylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(2-methylprop-2-enyl)indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-pentylindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-propylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[1-[(3-methyl-2H-pyrrol-5-yl)methyl]indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine.

What is the SMILES notation for 2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)indazol-1-yl]propan-1-one;N-(1,3-dimethylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-(1-ethyl-3-methylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(2-methylprop-2-enyl)indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-pentylindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-propylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[1-[(3-methyl-2H-pyrrol-5-yl)methyl]indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine?

The canonical SMILES for 2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)indazol-1-yl]propan-1-one;N-(1,3-dimethylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-(1-ethyl-3-methylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(2-methylprop-2-enyl)indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-pentylindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-propylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[1-[(3-methyl-2H-pyrrol-5-yl)methyl]indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine is C=C(C)Cn1nc(C)c2cc(NC3=NCc4nccnc43)ccc21.CC1=CC(Cn2ncc3cc(NC4=NCc5nccnc54)ccc32)=NC1.CCCCCn1cc(C)c2cc(Nc3[nH]nc4nccnc34)ccc21.CCCn1nc(C)c2cc(NC3=NCc4nccnc43)ccc21.CCn1nc(C)c2cc(NC3=NCc4nccnc43)ccc21.Cc1ccnc(-n2nc(C)c3cc(Nc4[nH]nc5nccnc45)cnc32)c1.Cc1nn(C(=O)C(C)(F)F)c2ccc(Nc3[nH]nc4ncncc34)cc12.Cc1nn(C)c2ccc(NC3=NCc4nccnc43)cc12.

What is the InChIKey of 2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)indazol-1-yl]propan-1-one;N-(1,3-dimethylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-(1-ethyl-3-methylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(2-methylprop-2-enyl)indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-pentylindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-propylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[1-[(3-methyl-2H-pyrrol-5-yl)methyl]indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine?

The InChIKey is VNHOONKLLHUPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7.C19H22N6.C18H15N9.C18H18N6.C17H18N6.C16H13F2N7O.C16H16N6.C15H14N6/c1-12-6-15(22-8-12)11-26-17-3-2-14(7-13(17)9-24-26)25-19-18-16(10-23-19)20-4-5-21-18;1-3-4-5-10-25-12-13(2)15-11-14(6-7-16(15)25)22-19-17-18(23-24-19)21-9-8-20-17;1-10-3-4-19-14(7-10)27-18-13(11(2)26-27)8-12(9-22-18)23-17-15-16(24-25-17)21-6-5-20-15;1-11(2)10-24-16-5-4-13(8-14(16)12(3)23-24)22-18-17-15(9-21-18)19-6-7-20-17;1-3-8-23-15-5-4-12(9-13(15)11(2)22-23)21-17-16-14(10-20-17)18-6-7-19-16;1-8-10-5-9(21-14-11-6-19-7-20-13(11)22-23-14)3-4-12(10)25(24-8)15(26)16(2,17)18;1-3-22-14-5-4-11(8-12(14)10(2)21-22)20-16-15-13(9-19-16)17-6-7-18-15;1-9-11-7-10(3-4-13(11)21(2)20-9)19-15-14-12(8-18-15)16-5-6-17-14/h2-7,9H,8,10-11H2,1H3,(H,23,25);6-9,11-12H,3-5,10H2,1-2H3,(H2,21,22,23,24);3-9H,1-2H3,(H2,21,23,24,25);4-8H,1,9-10H2,2-3H3,(H,21,22);4-7,9H,3,8,10H2,1-2H3,(H,20,21);3-7H,1-2H3,(H2,19,20,21,22,23);4-8H,3,9H2,1-2H3,(H,19,20);3-7H,8H2,1-2H3,(H,18,19).

What are the key properties of 2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)indazol-1-yl]propan-1-one;N-(1,3-dimethylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-(1-ethyl-3-methylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(2-methylprop-2-enyl)indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-pentylindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-propylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[1-[(3-methyl-2H-pyrrol-5-yl)methyl]indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine?

2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)indazol-1-yl]propan-1-one;N-(1,3-dimethylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-(1-ethyl-3-methylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(2-methylprop-2-enyl)indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-pentylindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-propylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[1-[(3-methyl-2H-pyrrol-5-yl)methyl]indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine has a molecular weight of 2587.95 g/mol, XLogP of 23.61, 24 rotatable bonds, 11 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)indazol-1-yl]propan-1-one;N-(1,3-dimethylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-(1-ethyl-3-methylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(2-methylprop-2-enyl)indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-pentylindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-propylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[1-[(3-methyl-2H-pyrrol-5-yl)methyl]indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 161346069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).