N-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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

C99H100F4N16O12 — CID 157301132

IUPACN-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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)NCC2CCCCC2)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/C26H29FN4O3.C26H23FN4O3.C24H25FN4O3.C23H23FN4O3/c2*1-34-25-20(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)28-12-2-3-13-28)9-11-19-21(22)18(26-27-19)10-6-15-4-7-16(24)8-5-15/h7-14,18H,2-6,15-16H2,1H3,(H,28,32)(H,29,33)(H,30,31);2-14H,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);4-11H,2-3,12-14H2,1H3,(H,25,30)(H,26,27)/b2*13-9+;11-7+;10-6+
InChIKeyBBXIQCNNIJHAEX-BADNKOEWSA-N
MW1781.98 g/mol
LogP15.09
Rot. Bonds28

About N-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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;N-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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 157301132) has the molecular formula C99H100F4N16O12 and a molecular weight of 1781.98 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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;N-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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 CID157301132
Molecular FormulaC99H100F4N16O12
Molecular Weight1781.98 g/mol
Exact Mass1780.76
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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)NCC2CCCCC2)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/C26H29FN4O3.C26H23FN4O3.C24H25FN4O3.C23H23FN4O3/c2*1-34-25-20(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)28-12-2-3-13-28)9-11-19-21(22)18(26-27-19)10-6-15-4-7-16(24)8-5-15/h7-14,18H,2-6,15-16H2,1H3,(H,28,32)(H,29,33)(H,30,31);2-14H,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);4-11H,2-3,12-14H2,1H3,(H,25,30)(H,26,27)/b2*13-9+;11-7+;10-6+
InChIKeyBBXIQCNNIJHAEX-BADNKOEWSA-N
XLogP15.09
TPSA366.86 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001781.98
LogP ≤ 515.09
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Analyze N-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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-(3-fluorophenyl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide
CID 23589678
N-(2-acetamidoethyl)-3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carboxamide
CID 23589871
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 59796967
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 59797212
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 59797366
N-[2-(cyclobutylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 60034580
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-piperidin-4-yl-1H-indazole-5-carboxamide
CID 60034594
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(3-fluorophenyl)methyl]-4-methoxy-1H-indazole-5-carboxamide
CID 60034607
N-[2-(cyclopentylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 60034614
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

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;N-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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;N-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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 157301132) is N-[2-(benzylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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;N-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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;N-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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)NCC2CCCCC2)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;N-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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 BBXIQCNNIJHAEX-BADNKOEWSA-N. The full InChI is InChI=1S/C26H29FN4O3.C26H23FN4O3.C24H25FN4O3.C23H23FN4O3/c2*1-34-25-20(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)28-12-2-3-13-28)9-11-19-21(22)18(26-27-19)10-6-15-4-7-16(24)8-5-15/h7-14,18H,2-6,15-16H2,1H3,(H,28,32)(H,29,33)(H,30,31);2-14H,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);4-11H,2-3,12-14H2,1H3,(H,25,30)(H,26,27)/b2*13-9+;11-7+;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;N-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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;N-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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 1781.98 g/mol, XLogP of 15.09, 28 rotatable bonds, 10 hydrogen bond donors, and 16 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;N-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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 157301132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).