1-(3,3-difluoroazetidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylindazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]pyrazole-4-carboxamide

C79H60F2N28O — CID 158904652

About 1-(3,3-difluoroazetidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylindazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]pyrazole-4-carboxamide

1-(3,3-difluoroazetidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylindazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]pyrazole-4-carboxamide (PubChem CID 158904652) has the molecular formula C79H60F2N28O and a molecular weight of 1455.54 g/mol. Its IUPAC name is 1-(3,3-difluoroazetidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylindazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(3,3-difluoroazetidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylindazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]pyrazole-4-carboxamide
• PubChem CID: 158904652
• Molecular Formula: C79H60F2N28O
• Molecular Weight: 1455.54 g/mol
• Exact Mass: 1454.55
• IUPAC Name: 1-(3,3-difluoroazetidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylindazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]pyrazole-4-carboxamide
• SMILES: Cc1ccn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)n1.Cc1nn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)c2ccccc12.FC1(F)CN(c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)C1.NC(=O)c1cnn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)c1
• InChI: InChI=1S/C23H17N7.C19H14N8O.C19H15N7.C18H14F2N6/c1-14-17-5-2-3-7-20(17)30(29-14)23-18-9-8-16(13-15(18)10-12-25-23)26-22-21-19(27-28-22)6-4-11-24-21;20-17(28)12-9-23-27(10-12)19-14-4-3-13(8-11(14)5-7-22-19)24-18-16-15(25-26-18)2-1-6-21-16;1-12-7-10-26(25-12)19-15-5-4-14(11-13(15)6-9-21-19)22-18-17-16(23-24-18)3-2-8-20-17;19-18(20)9-26(10-18)17-13-4-3-12(8-11(13)5-7-22-17)23-16-15-14(24-25-16)2-1-6-21-15/h2-13H,1H3,(H2,26,27,28);1-10H,(H2,20,28)(H2,24,25,26);2-11H,1H3,(H2,22,23,24);1-8H,9-10H2,(H2,23,24,25)
• InChIKey: JFWVJLYNIAAUMR-UHFFFAOYSA-N
• XLogP: 14.88
• TPSA: 365.75 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1455.54
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylindazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]pyrazole-4-carboxamide?

The IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylindazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]pyrazole-4-carboxamide (CID 158904652) is 1-(3,3-difluoroazetidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylindazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]pyrazole-4-carboxamide.

What is the SMILES notation for 1-(3,3-difluoroazetidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylindazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]pyrazole-4-carboxamide?

The canonical SMILES for 1-(3,3-difluoroazetidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylindazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]pyrazole-4-carboxamide is Cc1ccn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)n1.Cc1nn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)c2ccccc12.FC1(F)CN(c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)C1.NC(=O)c1cnn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)c1.

What is the InChIKey of 1-(3,3-difluoroazetidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylindazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]pyrazole-4-carboxamide?

The InChIKey is JFWVJLYNIAAUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7.C19H14N8O.C19H15N7.C18H14F2N6/c1-14-17-5-2-3-7-20(17)30(29-14)23-18-9-8-16(13-15(18)10-12-25-23)26-22-21-19(27-28-22)6-4-11-24-21;20-17(28)12-9-23-27(10-12)19-14-4-3-13(8-11(14)5-7-22-19)24-18-16-15(25-26-18)2-1-6-21-16;1-12-7-10-26(25-12)19-15-5-4-14(11-13(15)6-9-21-19)22-18-17-16(23-24-18)3-2-8-20-17;19-18(20)9-26(10-18)17-13-4-3-12(8-11(13)5-7-22-17)23-16-15-14(24-25-16)2-1-6-21-15/h2-13H,1H3,(H2,26,27,28);1-10H,(H2,20,28)(H2,24,25,26);2-11H,1H3,(H2,22,23,24);1-8H,9-10H2,(H2,23,24,25).

What are the key properties of 1-(3,3-difluoroazetidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylindazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]pyrazole-4-carboxamide?

1-(3,3-difluoroazetidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylindazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]pyrazole-4-carboxamide has a molecular weight of 1455.54 g/mol, XLogP of 14.88, 13 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,3-difluoroazetidin-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylindazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3-methylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 158904652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).