N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-[4-(1,1-difluoroethyl)-3-methyl-5H-1,2-oxazol-4-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;4-fluoro-1-(5-methyl-3-pyridinyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;N-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C121H95F7N36O — CID 162122499

About N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-[4-(1,1-difluoroethyl)-3-methyl-5H-1,2-oxazol-4-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;4-fluoro-1-(5-methyl-3-pyridinyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;N-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-[4-(1,1-difluoroethyl)-3-methyl-5H-1,2-oxazol-4-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;4-fluoro-1-(5-methyl-3-pyridinyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;N-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 162122499) has the molecular formula C121H95F7N36O and a molecular weight of 2202.33 g/mol. Its IUPAC name is N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-[4-(1,1-difluoroethyl)-3-methyl-5H-1,2-oxazol-4-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;4-fluoro-1-(5-methyl-3-pyridinyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;N-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-[4-(1,1-difluoroethyl)-3-methyl-5H-1,2-oxazol-4-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;4-fluoro-1-(5-methyl-3-pyridinyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;N-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
• PubChem CID: 162122499
• Molecular Formula: C121H95F7N36O
• Molecular Weight: 2202.33 g/mol
• Exact Mass: 2200.84
• IUPAC Name: N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-[4-(1,1-difluoroethyl)-3-methyl-5H-1,2-oxazol-4-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;4-fluoro-1-(5-methyl-3-pyridinyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;N-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
• SMILES: CC1=NOCC1(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C(C)(F)F.Cc1cncc(-c2ncc(F)c3cc(Cc4[nH]nc5cccnc45)ccc23)c1.Cn1nc(C(C)(F)F)cc1-c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.Cn1nccc1-c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12.FC1(F)CN(c2cccc3cc(Nc4n[nH]c5cccnc45)ccc23)C1.c1cc(-n2cncn2)c2ccc(Nc3n[nH]c4cccnc34)cc2c1
• InChI: InChI=1S/C22H16FN5.C21H17F2N7.C21H18F2N6O.C20H16N6.C19H15F2N5.C18H13N7/c1-13-7-15(11-24-10-13)21-16-5-4-14(8-17(16)18(23)12-26-21)9-20-22-19(27-28-20)3-2-6-25-22;1-21(22,23)17-11-16(30(2)29-17)18-14-6-5-13(10-12(14)7-9-25-18)26-20-19-15(27-28-20)4-3-8-24-19;1-12-21(11-30-29-12,20(2,22)23)18-15-6-5-14(10-13(15)7-9-25-18)26-19-17-16(27-28-19)4-3-8-24-17;1-26-18(9-11-22-26)16-5-2-4-13-12-14(7-8-15(13)16)23-20-19-17(24-25-20)6-3-10-21-19;20-19(21)10-26(11-19)16-5-1-3-12-9-13(6-7-14(12)16)23-18-17-15(24-25-18)4-2-8-22-17;1-3-12-9-13(22-18-17-15(23-24-18)4-2-8-20-17)6-7-14(12)16(5-1)25-11-19-10-21-25/h2-8,10-12H,9H2,1H3,(H,27,28);3-11H,1-2H3,(H2,26,27,28);3-10H,11H2,1-2H3,(H2,26,27,28);2-12H,1H3,(H2,23,24,25);1-9H,10-11H2,(H2,23,24,25);1-11H,(H2,22,23,24)
• InChIKey: ZHPFSVHYJBCANM-UHFFFAOYSA-N
• XLogP: 25.92
• TPSA: 452.31 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2202.33
LogP ≤ 5	25.92
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-[4-(1,1-difluoroethyl)-3-methyl-5H-1,2-oxazol-4-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;4-fluoro-1-(5-methyl-3-pyridinyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;N-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?

The IUPAC name of N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-[4-(1,1-difluoroethyl)-3-methyl-5H-1,2-oxazol-4-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;4-fluoro-1-(5-methyl-3-pyridinyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;N-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 162122499) is N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-[4-(1,1-difluoroethyl)-3-methyl-5H-1,2-oxazol-4-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;4-fluoro-1-(5-methyl-3-pyridinyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;N-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

What is the SMILES notation for N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-[4-(1,1-difluoroethyl)-3-methyl-5H-1,2-oxazol-4-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;4-fluoro-1-(5-methyl-3-pyridinyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;N-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?

The canonical SMILES for N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-[4-(1,1-difluoroethyl)-3-methyl-5H-1,2-oxazol-4-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;4-fluoro-1-(5-methyl-3-pyridinyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;N-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is CC1=NOCC1(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C(C)(F)F.Cc1cncc(-c2ncc(F)c3cc(Cc4[nH]nc5cccnc45)ccc23)c1.Cn1nc(C(C)(F)F)cc1-c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.Cn1nccc1-c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12.FC1(F)CN(c2cccc3cc(Nc4n[nH]c5cccnc45)ccc23)C1.c1cc(-n2cncn2)c2ccc(Nc3n[nH]c4cccnc34)cc2c1.

What is the InChIKey of N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-[4-(1,1-difluoroethyl)-3-methyl-5H-1,2-oxazol-4-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;4-fluoro-1-(5-methyl-3-pyridinyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;N-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?

The InChIKey is ZHPFSVHYJBCANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5.C21H17F2N7.C21H18F2N6O.C20H16N6.C19H15F2N5.C18H13N7/c1-13-7-15(11-24-10-13)21-16-5-4-14(8-17(16)18(23)12-26-21)9-20-22-19(27-28-20)3-2-6-25-22;1-21(22,23)17-11-16(30(2)29-17)18-14-6-5-13(10-12(14)7-9-25-18)26-20-19-15(27-28-20)4-3-8-24-19;1-12-21(11-30-29-12,20(2,22)23)18-15-6-5-14(10-13(15)7-9-25-18)26-19-17-16(27-28-19)4-3-8-24-17;1-26-18(9-11-22-26)16-5-2-4-13-12-14(7-8-15(13)16)23-20-19-17(24-25-20)6-3-10-21-19;20-19(21)10-26(11-19)16-5-1-3-12-9-13(6-7-14(12)16)23-18-17-15(24-25-18)4-2-8-22-17;1-3-12-9-13(22-18-17-15(23-24-18)4-2-8-20-17)6-7-14(12)16(5-1)25-11-19-10-21-25/h2-8,10-12H,9H2,1H3,(H,27,28);3-11H,1-2H3,(H2,26,27,28);3-10H,11H2,1-2H3,(H2,26,27,28);2-12H,1H3,(H2,23,24,25);1-9H,10-11H2,(H2,23,24,25);1-11H,(H2,22,23,24).

What are the key properties of N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-[4-(1,1-difluoroethyl)-3-methyl-5H-1,2-oxazol-4-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;4-fluoro-1-(5-methyl-3-pyridinyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;N-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?

N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-[4-(1,1-difluoroethyl)-3-methyl-5H-1,2-oxazol-4-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;4-fluoro-1-(5-methyl-3-pyridinyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;N-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 2202.33 g/mol, XLogP of 25.92, 20 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-[4-(1,1-difluoroethyl)-3-methyl-5H-1,2-oxazol-4-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;4-fluoro-1-(5-methyl-3-pyridinyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;N-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 162122499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).