N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide

C81H70F4N16O7 — CID 159871089

IUPACN-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cn1.O=C(NC1CC1)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cn1.O=C(NCc1ccco1)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cn1.O=C(N[C@H](CO)c1ccccc1)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cn1
InChIInChI=1S/C23H19FN4O2.C20H15FN4O2.C20H21FN4O2.C18H15FN4O/c24-17-8-4-5-15(11-17)9-10-19-18-12-20(25-13-21(18)28-27-19)23(30)26-22(14-29)16-6-2-1-3-7-16;21-14-4-1-3-13(9-14)6-7-17-16-10-18(22-12-19(16)25-24-17)20(26)23-11-15-5-2-8-27-15;1-12(2)19(11-26)23-20(27)17-9-15-16(24-25-18(15)10-22-17)7-6-13-4-3-5-14(21)8-13;19-12-3-1-2-11(8-12)4-7-15-14-9-16(18(24)21-13-5-6-13)20-10-17(14)23-22-15/h1-13,22,29H,14H2,(H,26,30)(H,27,28);1-10,12H,11H2,(H,23,26)(H,24,25);3-10,12,19,26H,11H2,1-2H3,(H,23,27)(H,24,25);1-4,7-10,13H,5-6H2,(H,21,24)(H,22,23)/b10-9+;2*7-6+;7-4+/t22-;;19-;/m1.1./s1
InChIKeyNSIUHOAQPBPSNQ-JWCRDPTGSA-N
MW1455.55 g/mol
LogP13.69
Rot. Bonds21

About N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide

N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide (PubChem CID 159871089) has the molecular formula C81H70F4N16O7 and a molecular weight of 1455.55 g/mol. Its IUPAC name is N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide
PubChem CID159871089
Molecular FormulaC81H70F4N16O7
Molecular Weight1455.55 g/mol
Exact Mass1454.55
IUPAC NameN-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cn1.O=C(NC1CC1)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cn1.O=C(NCc1ccco1)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cn1.O=C(N[C@H](CO)c1ccccc1)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cn1
InChIInChI=1S/C23H19FN4O2.C20H15FN4O2.C20H21FN4O2.C18H15FN4O/c24-17-8-4-5-15(11-17)9-10-19-18-12-20(25-13-21(18)28-27-19)23(30)26-22(14-29)16-6-2-1-3-7-16;21-14-4-1-3-13(9-14)6-7-17-16-10-18(22-12-19(16)25-24-17)20(26)23-11-15-5-2-8-27-15;1-12(2)19(11-26)23-20(27)17-9-15-16(24-25-18(15)10-22-17)7-6-13-4-3-5-14(21)8-13;19-12-3-1-2-11(8-12)4-7-15-14-9-16(18(24)21-13-5-6-13)20-10-17(14)23-22-15/h1-13,22,29H,14H2,(H,26,30)(H,27,28);1-10,12H,11H2,(H,23,26)(H,24,25);3-10,12,19,26H,11H2,1-2H3,(H,23,27)(H,24,25);1-4,7-10,13H,5-6H2,(H,21,24)(H,22,23)/b10-9+;2*7-6+;7-4+/t22-;;19-;/m1.1./s1
InChIKeyNSIUHOAQPBPSNQ-JWCRDPTGSA-N
XLogP13.69
TPSA336.28 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001455.55
LogP ≤ 513.69
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Analyze N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide (CID 159871089) is N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide is CC(C)[C@@H](CO)NC(=O)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cn1.O=C(NC1CC1)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cn1.O=C(NCc1ccco1)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cn1.O=C(N[C@H](CO)c1ccccc1)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cn1.
What is the InChIKey of N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide?
The InChIKey is NSIUHOAQPBPSNQ-JWCRDPTGSA-N. The full InChI is InChI=1S/C23H19FN4O2.C20H15FN4O2.C20H21FN4O2.C18H15FN4O/c24-17-8-4-5-15(11-17)9-10-19-18-12-20(25-13-21(18)28-27-19)23(30)26-22(14-29)16-6-2-1-3-7-16;21-14-4-1-3-13(9-14)6-7-17-16-10-18(22-12-19(16)25-24-17)20(26)23-11-15-5-2-8-27-15;1-12(2)19(11-26)23-20(27)17-9-15-16(24-25-18(15)10-22-17)7-6-13-4-3-5-14(21)8-13;19-12-3-1-2-11(8-12)4-7-15-14-9-16(18(24)21-13-5-6-13)20-10-17(14)23-22-15/h1-13,22,29H,14H2,(H,26,30)(H,27,28);1-10,12H,11H2,(H,23,26)(H,24,25);3-10,12,19,26H,11H2,1-2H3,(H,23,27)(H,24,25);1-4,7-10,13H,5-6H2,(H,21,24)(H,22,23)/b10-9+;2*7-6+;7-4+/t22-;;19-;/m1.1./s1.
What are the key properties of N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide?
N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide has a molecular weight of 1455.55 g/mol, XLogP of 13.69, 21 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazolo[3,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 159871089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).