6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-2-carboxylic acid;6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-N-[[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methyl]pyridine-2,6-dicarboxamide;[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methanamine

C86H106N16O7 — CID 157252524

About 6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-2-carboxylic acid;6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-N-[[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methyl]pyridine-2,6-dicarboxamide;[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methanamine

6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-2-carboxylic acid;6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-N-[[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methyl]pyridine-2,6-dicarboxamide;[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methanamine (PubChem CID 157252524) has the molecular formula C86H106N16O7 and a molecular weight of 1475.90 g/mol. Its IUPAC name is 6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-2-carboxylic acid;6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-N-[[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methyl]pyridine-2,6-dicarboxamide;[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methanamine.

Molecular Properties

• Compound Name: 6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-2-carboxylic acid;6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-N-[[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methyl]pyridine-2,6-dicarboxamide;[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methanamine
• PubChem CID: 157252524
• Molecular Formula: C86H106N16O7
• Molecular Weight: 1475.90 g/mol
• Exact Mass: 1474.84
• IUPAC Name: 6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-2-carboxylic acid;6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-N-[[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methyl]pyridine-2,6-dicarboxamide;[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methanamine
• SMILES: CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2cccc(-c3cccc(CC4CCN(C)CC4)c3)c2)n1.CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)O)n1.CN1CCC(Cc2cccc(-c3cccc(CN)c3)c2)CC1
• InChI: InChI=1S/C43H52N8O3.C23H28N6O4.C20H26N2/c1-4-37-35(40(47-34-17-21-54-22-18-34)36-28-46-51(5-2)41(36)49-37)27-45-43(53)39-14-8-13-38(48-39)42(52)44-26-31-10-7-12-33(25-31)32-11-6-9-30(24-32)23-29-15-19-50(3)20-16-29;1-3-17-15(12-24-22(30)18-6-5-7-19(27-18)23(31)32)20(26-14-8-10-33-11-9-14)16-13-25-29(4-2)21(16)28-17;1-22-10-8-16(9-11-22)12-17-4-2-6-19(13-17)20-7-3-5-18(14-20)15-21/h6-14,24-25,28-29,34H,4-5,15-23,26-27H2,1-3H3,(H,44,52)(H,45,53)(H,47,49);5-7,13-14H,3-4,8-12H2,1-2H3,(H,24,30)(H,26,28)(H,31,32);2-7,13-14,16H,8-12,15,21H2,1H3
• InChIKey: AWMSCZCNAKZPAF-UHFFFAOYSA-N
• XLogP: 12.74
• TPSA: 286.82 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 25
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1475.90
LogP ≤ 5	12.74
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-2-carboxylic acid;6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-N-[[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methyl]pyridine-2,6-dicarboxamide;[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methanamine?

The IUPAC name of 6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-2-carboxylic acid;6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-N-[[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methyl]pyridine-2,6-dicarboxamide;[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methanamine (CID 157252524) is 6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-2-carboxylic acid;6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-N-[[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methyl]pyridine-2,6-dicarboxamide;[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methanamine.

What is the SMILES notation for 6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-2-carboxylic acid;6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-N-[[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methyl]pyridine-2,6-dicarboxamide;[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methanamine?

The canonical SMILES for 6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-2-carboxylic acid;6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-N-[[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methyl]pyridine-2,6-dicarboxamide;[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methanamine is CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2cccc(-c3cccc(CC4CCN(C)CC4)c3)c2)n1.CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)O)n1.CN1CCC(Cc2cccc(-c3cccc(CN)c3)c2)CC1.

What is the InChIKey of 6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-2-carboxylic acid;6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-N-[[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methyl]pyridine-2,6-dicarboxamide;[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methanamine?

The InChIKey is AWMSCZCNAKZPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H52N8O3.C23H28N6O4.C20H26N2/c1-4-37-35(40(47-34-17-21-54-22-18-34)36-28-46-51(5-2)41(36)49-37)27-45-43(53)39-14-8-13-38(48-39)42(52)44-26-31-10-7-12-33(25-31)32-11-6-9-30(24-32)23-29-15-19-50(3)20-16-29;1-3-17-15(12-24-22(30)18-6-5-7-19(27-18)23(31)32)20(26-14-8-10-33-11-9-14)16-13-25-29(4-2)21(16)28-17;1-22-10-8-16(9-11-22)12-17-4-2-6-19(13-17)20-7-3-5-18(14-20)15-21/h6-14,24-25,28-29,34H,4-5,15-23,26-27H2,1-3H3,(H,44,52)(H,45,53)(H,47,49);5-7,13-14H,3-4,8-12H2,1-2H3,(H,24,30)(H,26,28)(H,31,32);2-7,13-14,16H,8-12,15,21H2,1H3.

What are the key properties of 6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-2-carboxylic acid;6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-N-[[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methyl]pyridine-2,6-dicarboxamide;[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methanamine?

6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-2-carboxylic acid;6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-N-[[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methyl]pyridine-2,6-dicarboxamide;[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methanamine has a molecular weight of 1475.90 g/mol, XLogP of 12.74, 25 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-2-carboxylic acid;6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-N-[[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methyl]pyridine-2,6-dicarboxamide;[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methanamine is sourced from PubChem (CID 157252524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).