1-ethoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-[(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)amino]naphthalen-1-yl]methanone

C81H73F3N20O3 — CID 158775740

About 1-ethoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-[(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)amino]naphthalen-1-yl]methanone

1-ethoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-[(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)amino]naphthalen-1-yl]methanone (PubChem CID 158775740) has the molecular formula C81H73F3N20O3 and a molecular weight of 1431.61 g/mol. Its IUPAC name is 1-ethoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-[(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)amino]naphthalen-1-yl]methanone.

Molecular Properties

• Compound Name: 1-ethoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-[(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)amino]naphthalen-1-yl]methanone
• PubChem CID: 158775740
• Molecular Formula: C81H73F3N20O3
• Molecular Weight: 1431.61 g/mol
• Exact Mass: 1430.61
• IUPAC Name: 1-ethoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-[(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)amino]naphthalen-1-yl]methanone
• SMILES: CC1(F)CC2(CN(C(=O)c3cccc4cc(Nc5n[nH]c6cccnc56)ccc34)C2)C1.CC1(F)CCN(C(=O)c2cccc3cc(Nc4n[nH]c5cc(F)cnc45)ccc23)CC1.CCOc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.CCc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
• InChI: InChI=1S/C24H22FN5O.C23H21F2N5O.C17H15N5O.C17H15N5/c1-23(25)11-24(12-23)13-30(14-24)22(31)18-5-2-4-15-10-16(7-8-17(15)18)27-21-20-19(28-29-21)6-3-9-26-20;1-23(25)7-9-30(10-8-23)22(31)18-4-2-3-14-11-16(5-6-17(14)18)27-21-20-19(28-29-21)12-15(24)13-26-20;1-2-23-17-13-6-5-12(10-11(13)7-9-19-17)20-16-15-14(21-22-16)4-3-8-18-15;1-2-14-13-6-5-12(10-11(13)7-9-18-14)20-17-16-15(21-22-17)4-3-8-19-16/h2-10H,11-14H2,1H3,(H2,27,28,29);2-6,11-13H,7-10H2,1H3,(H2,27,28,29);3-10H,2H2,1H3,(H2,20,21,22);3-10H,2H2,1H3,(H2,20,21,22)
• InChIKey: IQLKDNNYTGWODD-UHFFFAOYSA-N
• XLogP: 17.24
• TPSA: 290.03 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1431.61
LogP ≤ 5	17.24
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-[(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)amino]naphthalen-1-yl]methanone?

The IUPAC name of 1-ethoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-[(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)amino]naphthalen-1-yl]methanone (CID 158775740) is 1-ethoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-[(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)amino]naphthalen-1-yl]methanone.

What is the SMILES notation for 1-ethoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-[(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)amino]naphthalen-1-yl]methanone?

The canonical SMILES for 1-ethoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-[(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)amino]naphthalen-1-yl]methanone is CC1(F)CC2(CN(C(=O)c3cccc4cc(Nc5n[nH]c6cccnc56)ccc34)C2)C1.CC1(F)CCN(C(=O)c2cccc3cc(Nc4n[nH]c5cc(F)cnc45)ccc23)CC1.CCOc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.CCc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.

What is the InChIKey of 1-ethoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-[(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)amino]naphthalen-1-yl]methanone?

The InChIKey is IQLKDNNYTGWODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O.C23H21F2N5O.C17H15N5O.C17H15N5/c1-23(25)11-24(12-23)13-30(14-24)22(31)18-5-2-4-15-10-16(7-8-17(15)18)27-21-20-19(28-29-21)6-3-9-26-20;1-23(25)7-9-30(10-8-23)22(31)18-4-2-3-14-11-16(5-6-17(14)18)27-21-20-19(28-29-21)12-15(24)13-26-20;1-2-23-17-13-6-5-12(10-11(13)7-9-19-17)20-16-15-14(21-22-16)4-3-8-18-15;1-2-14-13-6-5-12(10-11(13)7-9-18-14)20-17-16-15(21-22-17)4-3-8-19-16/h2-10H,11-14H2,1H3,(H2,27,28,29);2-6,11-13H,7-10H2,1H3,(H2,27,28,29);3-10H,2H2,1H3,(H2,20,21,22);3-10H,2H2,1H3,(H2,20,21,22).

What are the key properties of 1-ethoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-[(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)amino]naphthalen-1-yl]methanone?

1-ethoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-[(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)amino]naphthalen-1-yl]methanone has a molecular weight of 1431.61 g/mol, XLogP of 17.24, 13 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethoxy-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-[(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)amino]naphthalen-1-yl]methanone is sourced from PubChem (CID 158775740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).