N-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indazole-5-carboxamide

C96H94F4N16O13 — CID 159790012

IUPACN-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCC(=O)N2CCCC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCC(=O)N2CCCCC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCC(=O)N2CCOCC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCC(=O)NCc2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12
InChIInChI=1S/C26H23FN4O3.C24H25FN4O3.C23H23FN4O4.C23H23FN4O3/c1-34-25-20(26(33)29-16-23(32)28-15-18-5-3-2-4-6-18)12-14-22-24(25)21(30-31-22)13-9-17-7-10-19(27)11-8-17;1-32-23-18(24(31)26-15-21(30)29-13-3-2-4-14-29)10-12-20-22(23)19(27-28-20)11-7-16-5-8-17(25)9-6-16;1-31-22-17(23(30)25-14-20(29)28-10-12-32-13-11-28)7-9-19-21(22)18(26-27-19)8-4-15-2-5-16(24)6-3-15;1-31-22-17(23(30)25-14-20(29)28-12-2-3-13-28)9-11-19-21(22)18(26-27-19)10-6-15-4-7-16(24)8-5-15/h2-14H,15-16H2,1H3,(H,28,32)(H,29,33)(H,30,31);5-12H,2-4,13-15H2,1H3,(H,26,31)(H,27,28);2-9H,10-14H2,1H3,(H,25,30)(H,26,27);4-11H,2-3,12-14H2,1H3,(H,25,30)(H,26,27)/b13-9+;11-7+;8-4+;10-6+
InChIKeyNILBRUVPDUZXGI-GHHLGZPBSA-N
MW1755.90 g/mol
LogP13.25
Rot. Bonds26

About N-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indazole-5-carboxamide

N-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indazole-5-carboxamide (PubChem CID 159790012) has the molecular formula C96H94F4N16O13 and a molecular weight of 1755.90 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indazole-5-carboxamide
PubChem CID159790012
Molecular FormulaC96H94F4N16O13
Molecular Weight1755.90 g/mol
Exact Mass1754.71
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCC(=O)N2CCCC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCC(=O)N2CCCCC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCC(=O)N2CCOCC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCC(=O)NCc2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12
InChIInChI=1S/C26H23FN4O3.C24H25FN4O3.C23H23FN4O4.C23H23FN4O3/c1-34-25-20(26(33)29-16-23(32)28-15-18-5-3-2-4-6-18)12-14-22-24(25)21(30-31-22)13-9-17-7-10-19(27)11-8-17;1-32-23-18(24(31)26-15-21(30)29-13-3-2-4-14-29)10-12-20-22(23)19(27-28-20)11-7-16-5-8-17(25)9-6-16;1-31-22-17(23(30)25-14-20(29)28-10-12-32-13-11-28)7-9-19-21(22)18(26-27-19)8-4-15-2-5-16(24)6-3-15;1-31-22-17(23(30)25-14-20(29)28-12-2-3-13-28)9-11-19-21(22)18(26-27-19)10-6-15-4-7-16(24)8-5-15/h2-14H,15-16H2,1H3,(H,28,32)(H,29,33)(H,30,31);5-12H,2-4,13-15H2,1H3,(H,26,31)(H,27,28);2-9H,10-14H2,1H3,(H,25,30)(H,26,27);4-11H,2-3,12-14H2,1H3,(H,25,30)(H,26,27)/b13-9+;11-7+;8-4+;10-6+
InChIKeyNILBRUVPDUZXGI-GHHLGZPBSA-N
XLogP13.25
TPSA367.30 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds26
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001755.90
LogP ≤ 513.25
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze N-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indazole-5-carboxamide with MolForge

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Related Compounds

3-[2-(4-fluorophenyl)ethyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide
CID 57584825
N-[2-(cyclohexylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 60034618
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]-1H-indazole-5-carboxamide
CID 60034626
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)-1H-indazole-5-carboxamide
CID 60034638
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-1H-indazole-5-carboxamide
CID 60034647
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)-1H-indazole-5-carboxamide
CID 60034659
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide
CID 60034676
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-indazole-5-carboxamide
CID 60034718
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indazole-5-carboxamide
CID 60034735
N-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 60034760
N-[2-(dimethylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 60034771
N-[[5-[(dimethylamino)methyl]furan-2-yl]methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 60034804

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indazole-5-carboxamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indazole-5-carboxamide (CID 159790012) is N-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indazole-5-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indazole-5-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indazole-5-carboxamide is COc1c(C(=O)NCC(=O)N2CCCC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCC(=O)N2CCCCC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCC(=O)N2CCOCC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCC(=O)NCc2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indazole-5-carboxamide?
The InChIKey is NILBRUVPDUZXGI-GHHLGZPBSA-N. The full InChI is InChI=1S/C26H23FN4O3.C24H25FN4O3.C23H23FN4O4.C23H23FN4O3/c1-34-25-20(26(33)29-16-23(32)28-15-18-5-3-2-4-6-18)12-14-22-24(25)21(30-31-22)13-9-17-7-10-19(27)11-8-17;1-32-23-18(24(31)26-15-21(30)29-13-3-2-4-14-29)10-12-20-22(23)19(27-28-20)11-7-16-5-8-17(25)9-6-16;1-31-22-17(23(30)25-14-20(29)28-10-12-32-13-11-28)7-9-19-21(22)18(26-27-19)8-4-15-2-5-16(24)6-3-15;1-31-22-17(23(30)25-14-20(29)28-12-2-3-13-28)9-11-19-21(22)18(26-27-19)10-6-15-4-7-16(24)8-5-15/h2-14H,15-16H2,1H3,(H,28,32)(H,29,33)(H,30,31);5-12H,2-4,13-15H2,1H3,(H,26,31)(H,27,28);2-9H,10-14H2,1H3,(H,25,30)(H,26,27);4-11H,2-3,12-14H2,1H3,(H,25,30)(H,26,27)/b13-9+;11-7+;8-4+;10-6+.
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indazole-5-carboxamide?
N-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indazole-5-carboxamide has a molecular weight of 1755.90 g/mol, XLogP of 13.25, 26 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 159790012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).