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;(4-fluoro-4-methylpiperidin-1-yl)-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)naphthalen-1-yl]methanone;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine

C72H64FN21O2 — CID 158158806

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;(4-fluoro-4-methylpiperidin-1-yl)-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)naphthalen-1-yl]methanone;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine

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;(4-fluoro-4-methylpiperidin-1-yl)-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)naphthalen-1-yl]methanone;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 158158806) has the molecular formula C72H64FN21O2 and a molecular weight of 1274.45 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;(4-fluoro-4-methylpiperidin-1-yl)-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)naphthalen-1-yl]methanone;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

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;(4-fluoro-4-methylpiperidin-1-yl)-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)naphthalen-1-yl]methanone;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
• PubChem CID: 158158806
• Molecular Formula: C72H64FN21O2
• Molecular Weight: 1274.45 g/mol
• Exact Mass: 1273.55
• 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;(4-fluoro-4-methylpiperidin-1-yl)-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)naphthalen-1-yl]methanone;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
• SMILES: CC1(F)CCN(C(=O)c2cccc3cc(Nc4[nH]nc5nccnc45)ccc23)CC1.CCOc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.CCc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
• InChI: InChI=1S/C22H21FN6O.C17H15N5O.C17H15N5.C16H13N5/c1-22(23)7-11-29(12-8-22)21(30)17-4-2-3-14-13-15(5-6-16(14)17)26-20-18-19(27-28-20)25-10-9-24-18;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;1-10-13-5-4-12(9-11(13)6-8-17-10)19-16-15-14(20-21-16)3-2-7-18-15/h2-6,9-10,13H,7-8,11-12H2,1H3,(H2,25,26,27,28);3-10H,2H2,1H3,(H2,20,21,22);3-10H,2H2,1H3,(H2,20,21,22);2-9H,1H3,(H2,19,20,21)
• InChIKey: FWAAJMJIXLFCAK-UHFFFAOYSA-N
• XLogP: 15.23
• TPSA: 295.50 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1274.45
LogP ≤ 5	15.23
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

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;(4-fluoro-4-methylpiperidin-1-yl)-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)naphthalen-1-yl]methanone;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?

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;(4-fluoro-4-methylpiperidin-1-yl)-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)naphthalen-1-yl]methanone;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine (CID 158158806) 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;(4-fluoro-4-methylpiperidin-1-yl)-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)naphthalen-1-yl]methanone;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine.

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;(4-fluoro-4-methylpiperidin-1-yl)-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)naphthalen-1-yl]methanone;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?

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;(4-fluoro-4-methylpiperidin-1-yl)-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)naphthalen-1-yl]methanone;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is CC1(F)CCN(C(=O)c2cccc3cc(Nc4[nH]nc5nccnc45)ccc23)CC1.CCOc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.CCc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1nccc2cc(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;(4-fluoro-4-methylpiperidin-1-yl)-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)naphthalen-1-yl]methanone;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?

The InChIKey is FWAAJMJIXLFCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O.C17H15N5O.C17H15N5.C16H13N5/c1-22(23)7-11-29(12-8-22)21(30)17-4-2-3-14-13-15(5-6-16(14)17)26-20-18-19(27-28-20)25-10-9-24-18;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;1-10-13-5-4-12(9-11(13)6-8-17-10)19-16-15-14(20-21-16)3-2-7-18-15/h2-6,9-10,13H,7-8,11-12H2,1H3,(H2,25,26,27,28);3-10H,2H2,1H3,(H2,20,21,22);3-10H,2H2,1H3,(H2,20,21,22);2-9H,1H3,(H2,19,20,21).

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;(4-fluoro-4-methylpiperidin-1-yl)-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)naphthalen-1-yl]methanone;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine?

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;(4-fluoro-4-methylpiperidin-1-yl)-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)naphthalen-1-yl]methanone;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 1274.45 g/mol, XLogP of 15.23, 12 rotatable bonds, 8 hydrogen bond donors, and 18 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;(4-fluoro-4-methylpiperidin-1-yl)-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)naphthalen-1-yl]methanone;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 158158806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).