N-(3-chloro-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]propan-1-one;N-[1-(2,2-difluoropropyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-(2-fluoro-2-methylbutyl)-3-methylindazol-5-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine

C67H61ClF5N23O — CID 157241022

About N-(3-chloro-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]propan-1-one;N-[1-(2,2-difluoropropyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-(2-fluoro-2-methylbutyl)-3-methylindazol-5-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine

N-(3-chloro-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]propan-1-one;N-[1-(2,2-difluoropropyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-(2-fluoro-2-methylbutyl)-3-methylindazol-5-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 157241022) has the molecular formula C67H61ClF5N23O and a molecular weight of 1334.83 g/mol. Its IUPAC name is N-(3-chloro-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]propan-1-one;N-[1-(2,2-difluoropropyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-(2-fluoro-2-methylbutyl)-3-methylindazol-5-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(3-chloro-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]propan-1-one;N-[1-(2,2-difluoropropyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-(2-fluoro-2-methylbutyl)-3-methylindazol-5-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
• PubChem CID: 157241022
• Molecular Formula: C67H61ClF5N23O
• Molecular Weight: 1334.83 g/mol
• Exact Mass: 1333.50
• IUPAC Name: N-(3-chloro-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]propan-1-one;N-[1-(2,2-difluoropropyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-(2-fluoro-2-methylbutyl)-3-methylindazol-5-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
• SMILES: CCC(C)(F)Cn1nc(C)c2cc(Nc3[nH]nc4ncccc34)ccc21.Cc1nn(C(=O)C(C)(F)F)c2ccc(Nc3[nH]nc4nccnc34)cc12.Cc1nn(CC(C)(F)F)c2ccc(Nc3n[nH]c4cccnc34)cc12.ClC1=NCc2ccc(NC3=NCc4cccnc43)cc21
• InChI: InChI=1S/C19H21FN6.C17H16F2N6.C16H13F2N7O.C15H11ClN4/c1-4-19(3,20)11-26-16-8-7-13(10-15(16)12(2)25-26)22-18-14-6-5-9-21-17(14)23-24-18;1-10-12-8-11(5-6-14(12)25(24-10)9-17(2,18)19)21-16-15-13(22-23-16)4-3-7-20-15;1-8-10-7-9(21-14-12-13(22-23-14)20-6-5-19-12)3-4-11(10)25(24-8)15(26)16(2,17)18;16-14-12-6-11(4-3-9(12)7-18-14)20-15-13-10(8-19-15)2-1-5-17-13/h5-10H,4,11H2,1-3H3,(H2,21,22,23,24);3-8H,9H2,1-2H3,(H2,21,22,23);3-7H,1-2H3,(H2,20,21,22,23);1-6H,7-8H2,(H,19,20)
• InChIKey: AVFHKUFXECJKIM-UHFFFAOYSA-N
• XLogP: 14.52
• TPSA: 293.86 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1334.83
LogP ≤ 5	14.52
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]propan-1-one;N-[1-(2,2-difluoropropyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-(2-fluoro-2-methylbutyl)-3-methylindazol-5-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?

The IUPAC name of N-(3-chloro-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]propan-1-one;N-[1-(2,2-difluoropropyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-(2-fluoro-2-methylbutyl)-3-methylindazol-5-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 157241022) is N-(3-chloro-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]propan-1-one;N-[1-(2,2-difluoropropyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-(2-fluoro-2-methylbutyl)-3-methylindazol-5-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.

What is the SMILES notation for N-(3-chloro-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]propan-1-one;N-[1-(2,2-difluoropropyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-(2-fluoro-2-methylbutyl)-3-methylindazol-5-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?

The canonical SMILES for N-(3-chloro-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]propan-1-one;N-[1-(2,2-difluoropropyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-(2-fluoro-2-methylbutyl)-3-methylindazol-5-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is CCC(C)(F)Cn1nc(C)c2cc(Nc3[nH]nc4ncccc34)ccc21.Cc1nn(C(=O)C(C)(F)F)c2ccc(Nc3[nH]nc4nccnc34)cc12.Cc1nn(CC(C)(F)F)c2ccc(Nc3n[nH]c4cccnc34)cc12.ClC1=NCc2ccc(NC3=NCc4cccnc43)cc21.

What is the InChIKey of N-(3-chloro-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]propan-1-one;N-[1-(2,2-difluoropropyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-(2-fluoro-2-methylbutyl)-3-methylindazol-5-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?

The InChIKey is AVFHKUFXECJKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6.C17H16F2N6.C16H13F2N7O.C15H11ClN4/c1-4-19(3,20)11-26-16-8-7-13(10-15(16)12(2)25-26)22-18-14-6-5-9-21-17(14)23-24-18;1-10-12-8-11(5-6-14(12)25(24-10)9-17(2,18)19)21-16-15-13(22-23-16)4-3-7-20-15;1-8-10-7-9(21-14-12-13(22-23-14)20-6-5-19-12)3-4-11(10)25(24-8)15(26)16(2,17)18;16-14-12-6-11(4-3-9(12)7-18-14)20-15-13-10(8-19-15)2-1-5-17-13/h5-10H,4,11H2,1-3H3,(H2,21,22,23,24);3-8H,9H2,1-2H3,(H2,21,22,23);3-7H,1-2H3,(H2,20,21,22,23);1-6H,7-8H2,(H,19,20).

What are the key properties of N-(3-chloro-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]propan-1-one;N-[1-(2,2-difluoropropyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-(2-fluoro-2-methylbutyl)-3-methylindazol-5-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?

N-(3-chloro-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]propan-1-one;N-[1-(2,2-difluoropropyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-(2-fluoro-2-methylbutyl)-3-methylindazol-5-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 1334.83 g/mol, XLogP of 14.52, 13 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]propan-1-one;N-[1-(2,2-difluoropropyl)-3-methylindazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-(2-fluoro-2-methylbutyl)-3-methylindazol-5-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 157241022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).