4-amino-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide;4-amino-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;[2-(2-methylpropyl)-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine;molecular hydrogen

C56H83F7N20O3 — CID 160676613

IUPAC4-amino-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide;4-amino-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;[2-(2-methylpropyl)-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine;molecular hydrogen
SMILESCC(C)CC1(CN)CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCO1.NC(=O)C1(N)CCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC1.NC(=O)C1(N)CCN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C21H25F3N6O.C18H18F3N7O.C17H18FN7O.11H2/c1-13(2)10-20(11-25)12-30(8-9-31-20)16-6-5-15(21(22,23)24)18(27-16)17-14-4-3-7-26-19(14)29-28-17;19-18(20,21)11-3-4-12(28-8-5-17(23,6-9-28)16(22)29)25-14(11)13-10-2-1-7-24-15(10)27-26-13;18-11-3-4-12(25-8-5-17(20,6-9-25)16(19)26)22-14(11)13-10-2-1-7-21-15(10)24-23-13;;;;;;;;;;;/h3-7,13H,8-12,25H2,1-2H3,(H,26,28,29);1-4,7H,5-6,8-9,23H2,(H2,22,29)(H,24,26,27);1-4,7H,5-6,8-9,20H2,(H2,19,26)(H,21,23,24);11*1H
InChIKeyRNPMGTZQXLMDIH-UHFFFAOYSA-N
MW1217.40 g/mol
LogP9.09
Rot. Bonds11

About 4-amino-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide;4-amino-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;[2-(2-methylpropyl)-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine;molecular hydrogen

4-amino-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide;4-amino-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;[2-(2-methylpropyl)-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine;molecular hydrogen (PubChem CID 160676613) has the molecular formula C56H83F7N20O3 and a molecular weight of 1217.40 g/mol. Its IUPAC name is 4-amino-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide;4-amino-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;[2-(2-methylpropyl)-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine;molecular hydrogen.

Molecular Properties

Compound Name4-amino-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide;4-amino-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;[2-(2-methylpropyl)-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine;molecular hydrogen
PubChem CID160676613
Molecular FormulaC56H83F7N20O3
Molecular Weight1217.40 g/mol
Exact Mass1216.68
IUPAC Name4-amino-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide;4-amino-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;[2-(2-methylpropyl)-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine;molecular hydrogen
SMILESCC(C)CC1(CN)CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCO1.NC(=O)C1(N)CCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC1.NC(=O)C1(N)CCN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C21H25F3N6O.C18H18F3N7O.C17H18FN7O.11H2/c1-13(2)10-20(11-25)12-30(8-9-31-20)16-6-5-15(21(22,23)24)18(27-16)17-14-4-3-7-26-19(14)29-28-17;19-18(20,21)11-3-4-12(28-8-5-17(23,6-9-28)16(22)29)25-14(11)13-10-2-1-7-24-15(10)27-26-13;18-11-3-4-12(25-8-5-17(20,6-9-25)16(19)26)22-14(11)13-10-2-1-7-21-15(10)24-23-13;;;;;;;;;;;/h3-7,13H,8-12,25H2,1-2H3,(H,26,28,29);1-4,7H,5-6,8-9,23H2,(H2,22,29)(H,24,26,27);1-4,7H,5-6,8-9,20H2,(H2,19,26)(H,21,23,24);11*1H
InChIKeyRNPMGTZQXLMDIH-UHFFFAOYSA-N
XLogP9.09
TPSA346.57 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001217.40
LogP ≤ 59.09
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze 4-amino-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide;4-amino-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;[2-(2-methylpropyl)-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide;4-amino-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;[2-(2-methylpropyl)-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine;molecular hydrogen?
The IUPAC name of 4-amino-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide;4-amino-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;[2-(2-methylpropyl)-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine;molecular hydrogen (CID 160676613) is 4-amino-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide;4-amino-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;[2-(2-methylpropyl)-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine;molecular hydrogen.
What is the SMILES notation for 4-amino-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide;4-amino-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;[2-(2-methylpropyl)-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine;molecular hydrogen?
The canonical SMILES for 4-amino-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide;4-amino-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;[2-(2-methylpropyl)-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine;molecular hydrogen is CC(C)CC1(CN)CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCO1.NC(=O)C1(N)CCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC1.NC(=O)C1(N)CCN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 4-amino-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide;4-amino-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;[2-(2-methylpropyl)-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine;molecular hydrogen?
The InChIKey is RNPMGTZQXLMDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N6O.C18H18F3N7O.C17H18FN7O.11H2/c1-13(2)10-20(11-25)12-30(8-9-31-20)16-6-5-15(21(22,23)24)18(27-16)17-14-4-3-7-26-19(14)29-28-17;19-18(20,21)11-3-4-12(28-8-5-17(23,6-9-28)16(22)29)25-14(11)13-10-2-1-7-24-15(10)27-26-13;18-11-3-4-12(25-8-5-17(20,6-9-25)16(19)26)22-14(11)13-10-2-1-7-21-15(10)24-23-13;;;;;;;;;;;/h3-7,13H,8-12,25H2,1-2H3,(H,26,28,29);1-4,7H,5-6,8-9,23H2,(H2,22,29)(H,24,26,27);1-4,7H,5-6,8-9,20H2,(H2,19,26)(H,21,23,24);11*1H.
What are the key properties of 4-amino-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide;4-amino-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;[2-(2-methylpropyl)-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine;molecular hydrogen?
4-amino-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide;4-amino-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;[2-(2-methylpropyl)-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine;molecular hydrogen has a molecular weight of 1217.40 g/mol, XLogP of 9.09, 11 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidine-4-carboxamide;4-amino-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;[2-(2-methylpropyl)-4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine;molecular hydrogen is sourced from PubChem (CID 160676613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).