5,5-difluoro-N-naphthalen-2-yl-1,4,6,7-tetrahydroindazol-3-amine;N-(5-ethylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1H-indazol-3-yl)isoquinolin-6-amine;3-methoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;bis(N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine);N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-2-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-3-amine

C₁₂₇H₁₀₀F₂N₃₆O — CID 159027420

About 5,5-difluoro-N-naphthalen-2-yl-1,4,6,7-tetrahydroindazol-3-amine;N-(5-ethylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1H-indazol-3-yl)isoquinolin-6-amine;3-methoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;bis(N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine);N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-2-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-3-amine

5,5-difluoro-N-naphthalen-2-yl-1,4,6,7-tetrahydroindazol-3-amine;N-(5-ethylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1H-indazol-3-yl)isoquinolin-6-amine;3-methoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;bis(N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine);N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-2-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-3-amine (PubChem CID 159027420) has the molecular formula C₁₂₇H₁₀₀F₂N₃₆O and a molecular weight of 2184.44 g/mol. Its IUPAC name is 5,5-difluoro-N-naphthalen-2-yl-1,4,6,7-tetrahydroindazol-3-amine;N-(5-ethylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1H-indazol-3-yl)isoquinolin-6-amine;3-methoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;bis(N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine);N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-2-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-3-amine.

Molecular Properties

• Compound Name: 5,5-difluoro-N-naphthalen-2-yl-1,4,6,7-tetrahydroindazol-3-amine;N-(5-ethylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1H-indazol-3-yl)isoquinolin-6-amine;3-methoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;bis(N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine);N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-2-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-3-amine
• PubChem CID: 159027420
• Molecular Formula: C₁₂₇H₁₀₀F₂N₃₆O
• Molecular Weight: 2184.44 g/mol
• Exact Mass: 2182.88
• IUPAC Name: 5,5-difluoro-N-naphthalen-2-yl-1,4,6,7-tetrahydroindazol-3-amine;N-(5-ethylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1H-indazol-3-yl)isoquinolin-6-amine;3-methoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;bis(N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine);N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-2-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-3-amine
• SMILES: CCc1cccc2cc(Nc3n[nH]c4cccnc34)ccc12.COc1cc2cc(Nc3n[nH]c4cccnc34)ccc2cn1.FC1(F)CCc2[nH]nc(Nc3ccc4ccccc4c3)c2C1.c1ccc2c(Nc3ccc4cnccc4c3)n[nH]c2c1.c1ccc2nc(Nc3n[nH]c4cccnc34)ccc2c1.c1ccc2ncc(Nc3n[nH]c4cccnc34)cc2c1.c1cnc2c(Nc3ccc4cnccc4c3)n[nH]c2c1.c1cnc2c(Nc3ccc4cnccc4c3)n[nH]c2c1
• InChI: InChI=1S/C18H16N4.C17H15F2N3.C16H13N5O.C16H12N4.4C15H11N5/c1-2-12-5-3-6-13-11-14(8-9-15(12)13)20-18-17-16(21-22-18)7-4-10-19-17;18-17(19)8-7-15-14(10-17)16(22-21-15)20-13-6-5-11-3-1-2-4-12(11)9-13;1-22-14-8-11-7-12(5-4-10(11)9-18-14)19-16-15-13(20-21-16)3-2-6-17-15;1-2-4-15-14(3-1)16(20-19-15)18-13-6-5-12-10-17-8-7-11(12)9-13;2*1-2-13-14(17-6-1)15(20-19-13)18-12-4-3-11-9-16-7-5-10(11)8-12;1-2-5-11-10(4-1)7-8-13(17-11)18-15-14-12(19-20-15)6-3-9-16-14;1-2-5-12-10(4-1)8-11(9-17-12)18-15-14-13(19-20-15)6-3-7-16-14/h3-11H,2H2,1H3,(H2,20,21,22);1-6,9H,7-8,10H2,(H2,20,21,22);2-9H,1H3,(H2,19,20,21);1-10H,(H2,18,19,20);2*1-9H,(H2,18,19,20);1-9H,(H2,17,18,19,20);1-9H,(H2,18,19,20)
• InChIKey: JULKTLUMSSSXHQ-UHFFFAOYSA-N
• XLogP: 28.96
• TPSA: 489.59 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2184.44
LogP ≤ 5	28.96
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-N-naphthalen-2-yl-1,4,6,7-tetrahydroindazol-3-amine;N-(5-ethylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1H-indazol-3-yl)isoquinolin-6-amine;3-methoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;bis(N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine);N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-2-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-3-amine?

The IUPAC name of 5,5-difluoro-N-naphthalen-2-yl-1,4,6,7-tetrahydroindazol-3-amine;N-(5-ethylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1H-indazol-3-yl)isoquinolin-6-amine;3-methoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;bis(N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine);N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-2-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-3-amine (CID 159027420) is 5,5-difluoro-N-naphthalen-2-yl-1,4,6,7-tetrahydroindazol-3-amine;N-(5-ethylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1H-indazol-3-yl)isoquinolin-6-amine;3-methoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;bis(N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine);N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-2-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-3-amine.

What is the SMILES notation for 5,5-difluoro-N-naphthalen-2-yl-1,4,6,7-tetrahydroindazol-3-amine;N-(5-ethylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1H-indazol-3-yl)isoquinolin-6-amine;3-methoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;bis(N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine);N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-2-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-3-amine?

The canonical SMILES for 5,5-difluoro-N-naphthalen-2-yl-1,4,6,7-tetrahydroindazol-3-amine;N-(5-ethylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1H-indazol-3-yl)isoquinolin-6-amine;3-methoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;bis(N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine);N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-2-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-3-amine is CCc1cccc2cc(Nc3n[nH]c4cccnc34)ccc12.COc1cc2cc(Nc3n[nH]c4cccnc34)ccc2cn1.FC1(F)CCc2[nH]nc(Nc3ccc4ccccc4c3)c2C1.c1ccc2c(Nc3ccc4cnccc4c3)n[nH]c2c1.c1ccc2nc(Nc3n[nH]c4cccnc34)ccc2c1.c1ccc2ncc(Nc3n[nH]c4cccnc34)cc2c1.c1cnc2c(Nc3ccc4cnccc4c3)n[nH]c2c1.c1cnc2c(Nc3ccc4cnccc4c3)n[nH]c2c1.

What is the InChIKey of 5,5-difluoro-N-naphthalen-2-yl-1,4,6,7-tetrahydroindazol-3-amine;N-(5-ethylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1H-indazol-3-yl)isoquinolin-6-amine;3-methoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;bis(N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine);N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-2-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-3-amine?

The InChIKey is JULKTLUMSSSXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4.C17H15F2N3.C16H13N5O.C16H12N4.4C15H11N5/c1-2-12-5-3-6-13-11-14(8-9-15(12)13)20-18-17-16(21-22-18)7-4-10-19-17;18-17(19)8-7-15-14(10-17)16(22-21-15)20-13-6-5-11-3-1-2-4-12(11)9-13;1-22-14-8-11-7-12(5-4-10(11)9-18-14)19-16-15-13(20-21-16)3-2-6-17-15;1-2-4-15-14(3-1)16(20-19-15)18-13-6-5-12-10-17-8-7-11(12)9-13;2*1-2-13-14(17-6-1)15(20-19-13)18-12-4-3-11-9-16-7-5-10(11)8-12;1-2-5-11-10(4-1)7-8-13(17-11)18-15-14-12(19-20-15)6-3-9-16-14;1-2-5-12-10(4-1)8-11(9-17-12)18-15-14-13(19-20-15)6-3-7-16-14/h3-11H,2H2,1H3,(H2,20,21,22);1-6,9H,7-8,10H2,(H2,20,21,22);2-9H,1H3,(H2,19,20,21);1-10H,(H2,18,19,20);2*1-9H,(H2,18,19,20);1-9H,(H2,17,18,19,20);1-9H,(H2,18,19,20).

What are the key properties of 5,5-difluoro-N-naphthalen-2-yl-1,4,6,7-tetrahydroindazol-3-amine;N-(5-ethylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1H-indazol-3-yl)isoquinolin-6-amine;3-methoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;bis(N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine);N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-2-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-3-amine?

5,5-difluoro-N-naphthalen-2-yl-1,4,6,7-tetrahydroindazol-3-amine;N-(5-ethylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1H-indazol-3-yl)isoquinolin-6-amine;3-methoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;bis(N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine);N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-2-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-3-amine has a molecular weight of 2184.44 g/mol, XLogP of 28.96, 18 rotatable bonds, 16 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-difluoro-N-naphthalen-2-yl-1,4,6,7-tetrahydroindazol-3-amine;N-(5-ethylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1H-indazol-3-yl)isoquinolin-6-amine;3-methoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;bis(N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine);N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-2-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-3-amine is sourced from PubChem (CID 159027420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159027420 — identifiers, structure, computed properties (public domain)

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