[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine;1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-methyl-3-(2-methylpropyl)piperidin-4-amine;[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-yl]methanamine;molecular hydrogen

C57H83F3N18 — CID 160568554

About [1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine;1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-methyl-3-(2-methylpropyl)piperidin-4-amine;[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-yl]methanamine;molecular hydrogen

[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine;1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-methyl-3-(2-methylpropyl)piperidin-4-amine;[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-yl]methanamine;molecular hydrogen (PubChem CID 160568554) has the molecular formula C57H83F3N18 and a molecular weight of 1077.41 g/mol. Its IUPAC name is [1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine;1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-methyl-3-(2-methylpropyl)piperidin-4-amine;[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-yl]methanamine;molecular hydrogen.

Molecular Properties

• Compound Name: [1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine;1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-methyl-3-(2-methylpropyl)piperidin-4-amine;[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-yl]methanamine;molecular hydrogen
• PubChem CID: 160568554
• Molecular Formula: C57H83F3N18
• Molecular Weight: 1077.41 g/mol
• Exact Mass: 1076.70
• IUPAC Name: [1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine;1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-methyl-3-(2-methylpropyl)piperidin-4-amine;[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-yl]methanamine;molecular hydrogen
• SMILES: CC(C)CC1(C)CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCC1N.CC(C)CC1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCC1CN.NCC1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/2C21H27FN6.C15H15FN6.7H2/c1-13(2)11-21(3)12-28(10-8-16(21)23)17-7-6-15(22)19(25-17)18-14-5-4-9-24-20(14)27-26-18;1-13(2)10-15-12-28(9-7-14(15)11-23)18-6-5-17(22)20(25-18)19-16-4-3-8-24-21(16)27-26-19;16-11-3-4-12(22-7-9(6-17)8-22)19-14(11)13-10-2-1-5-18-15(10)21-20-13;;;;;;;/h4-7,9,13,16H,8,10-12,23H2,1-3H3,(H,24,26,27);3-6,8,13-15H,7,9-12,23H2,1-2H3,(H,24,26,27);1-5,9H,6-8,17H2,(H,18,20,21);7*1H
• InChIKey: RAGFESWBOYXGAE-UHFFFAOYSA-N
• XLogP: 10.63
• TPSA: 251.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1077.41
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of [1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine;1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-methyl-3-(2-methylpropyl)piperidin-4-amine;[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-yl]methanamine;molecular hydrogen?

The IUPAC name of [1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine;1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-methyl-3-(2-methylpropyl)piperidin-4-amine;[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-yl]methanamine;molecular hydrogen (CID 160568554) is [1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine;1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-methyl-3-(2-methylpropyl)piperidin-4-amine;[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-yl]methanamine;molecular hydrogen.

What is the SMILES notation for [1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine;1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-methyl-3-(2-methylpropyl)piperidin-4-amine;[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-yl]methanamine;molecular hydrogen?

The canonical SMILES for [1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine;1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-methyl-3-(2-methylpropyl)piperidin-4-amine;[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-yl]methanamine;molecular hydrogen is CC(C)CC1(C)CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCC1N.CC(C)CC1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCC1CN.NCC1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of [1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine;1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-methyl-3-(2-methylpropyl)piperidin-4-amine;[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-yl]methanamine;molecular hydrogen?

The InChIKey is RAGFESWBOYXGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H27FN6.C15H15FN6.7H2/c1-13(2)11-21(3)12-28(10-8-16(21)23)17-7-6-15(22)19(25-17)18-14-5-4-9-24-20(14)27-26-18;1-13(2)10-15-12-28(9-7-14(15)11-23)18-6-5-17(22)20(25-18)19-16-4-3-8-24-21(16)27-26-19;16-11-3-4-12(22-7-9(6-17)8-22)19-14(11)13-10-2-1-5-18-15(10)21-20-13;;;;;;;/h4-7,9,13,16H,8,10-12,23H2,1-3H3,(H,24,26,27);3-6,8,13-15H,7,9-12,23H2,1-2H3,(H,24,26,27);1-5,9H,6-8,17H2,(H,18,20,21);7*1H.

What are the key properties of [1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine;1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-methyl-3-(2-methylpropyl)piperidin-4-amine;[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-yl]methanamine;molecular hydrogen?

[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine;1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-methyl-3-(2-methylpropyl)piperidin-4-amine;[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-yl]methanamine;molecular hydrogen has a molecular weight of 1077.41 g/mol, XLogP of 10.63, 12 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine;1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-methyl-3-(2-methylpropyl)piperidin-4-amine;[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-yl]methanamine;molecular hydrogen is sourced from PubChem (CID 160568554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).