N-[4-(dimethylamino)-4-oxobutyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxoazepan-3-yl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide

C113H107F5N20O13 — CID 158809560

IUPACN-[4-(dimethylamino)-4-oxobutyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxoazepan-3-yl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide
SMILESCNC(=O)[C@H](C)NC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OC.COc1c(C(=O)NC2CCCCNC2=O)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCCCC(=O)N(C)C)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCc2ccccn2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCc2cccnc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12
InChIInChI=1S/C23H23FN4O3.C23H25FN4O3.2C23H19FN4O2.C21H21FN4O3/c1-31-21-16(22(29)26-19-4-2-3-13-25-23(19)30)10-12-18-20(21)17(27-28-18)11-7-14-5-8-15(24)9-6-14;1-28(2)20(29)5-4-14-25-23(30)17-11-13-19-21(22(17)31-3)18(26-27-19)12-8-15-6-9-16(24)10-7-15;1-30-22-18(23(29)26-14-16-3-2-12-25-13-16)9-11-20-21(22)19(27-28-20)10-6-15-4-7-17(24)8-5-15;1-30-22-18(23(29)26-14-17-4-2-3-13-25-17)10-12-20-21(22)19(27-28-20)11-7-15-5-8-16(24)9-6-15;1-12(20(27)23-2)24-21(28)15-9-11-17-18(19(15)29-3)16(25-26-17)10-6-13-4-7-14(22)8-5-13/h5-12,19H,2-4,13H2,1H3,(H,25,30)(H,26,29)(H,27,28);6-13H,4-5,14H2,1-3H3,(H,25,30)(H,26,27);2*2-13H,14H2,1H3,(H,26,29)(H,27,28);4-12H,1-3H3,(H,23,27)(H,24,28)(H,25,26)/b11-7+;12-8+;10-6+;11-7+;10-6+/t;;;;12-/m....0/s1
InChIKeyIUMSGAYWBFQSMK-CJEVLBMASA-N
MW2048.22 g/mol
LogP17.92
Rot. Bonds31

About N-[4-(dimethylamino)-4-oxobutyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxoazepan-3-yl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide

N-[4-(dimethylamino)-4-oxobutyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxoazepan-3-yl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 158809560) has the molecular formula C113H107F5N20O13 and a molecular weight of 2048.22 g/mol. Its IUPAC name is N-[4-(dimethylamino)-4-oxobutyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxoazepan-3-yl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-4-oxobutyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxoazepan-3-yl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide
PubChem CID158809560
Molecular FormulaC113H107F5N20O13
Molecular Weight2048.22 g/mol
Exact Mass2046.82
IUPAC NameN-[4-(dimethylamino)-4-oxobutyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxoazepan-3-yl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide
SMILESCNC(=O)[C@H](C)NC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OC.COc1c(C(=O)NC2CCCCNC2=O)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCCCC(=O)N(C)C)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCc2ccccn2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCc2cccnc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12
InChIInChI=1S/C23H23FN4O3.C23H25FN4O3.2C23H19FN4O2.C21H21FN4O3/c1-31-21-16(22(29)26-19-4-2-3-13-25-23(19)30)10-12-18-20(21)17(27-28-18)11-7-14-5-8-15(24)9-6-14;1-28(2)20(29)5-4-14-25-23(30)17-11-13-19-21(22(17)31-3)18(26-27-19)12-8-15-6-9-16(24)10-7-15;1-30-22-18(23(29)26-14-16-3-2-12-25-13-16)9-11-20-21(22)19(27-28-20)10-6-15-4-7-17(24)8-5-15;1-30-22-18(23(29)26-14-17-4-2-3-13-25-17)10-12-20-21(22)19(27-28-20)11-7-15-5-8-16(24)9-6-15;1-12(20(27)23-2)24-21(28)15-9-11-17-18(19(15)29-3)16(25-26-17)10-6-13-4-7-14(22)8-5-13/h5-12,19H,2-4,13H2,1H3,(H,25,30)(H,26,29)(H,27,28);6-13H,4-5,14H2,1-3H3,(H,25,30)(H,26,27);2*2-13H,14H2,1H3,(H,26,29)(H,27,28);4-12H,1-3H3,(H,23,27)(H,24,28)(H,25,26)/b11-7+;12-8+;10-6+;11-7+;10-6+/t;;;;12-/m....0/s1
InChIKeyIUMSGAYWBFQSMK-CJEVLBMASA-N
XLogP17.92
TPSA439.34 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds31
Heavy Atoms151
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002048.22
LogP ≤ 517.92
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-(dimethylamino)-4-oxobutyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxoazepan-3-yl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-4-oxobutyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxoazepan-3-yl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-4-oxobutyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxoazepan-3-yl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide (CID 158809560) is N-[4-(dimethylamino)-4-oxobutyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxoazepan-3-yl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-4-oxobutyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxoazepan-3-yl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-4-oxobutyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxoazepan-3-yl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide is CNC(=O)[C@H](C)NC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OC.COc1c(C(=O)NC2CCCCNC2=O)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCCCC(=O)N(C)C)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCc2ccccn2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCc2cccnc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.
What is the InChIKey of N-[4-(dimethylamino)-4-oxobutyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxoazepan-3-yl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide?
The InChIKey is IUMSGAYWBFQSMK-CJEVLBMASA-N. The full InChI is InChI=1S/C23H23FN4O3.C23H25FN4O3.2C23H19FN4O2.C21H21FN4O3/c1-31-21-16(22(29)26-19-4-2-3-13-25-23(19)30)10-12-18-20(21)17(27-28-18)11-7-14-5-8-15(24)9-6-14;1-28(2)20(29)5-4-14-25-23(30)17-11-13-19-21(22(17)31-3)18(26-27-19)12-8-15-6-9-16(24)10-7-15;1-30-22-18(23(29)26-14-16-3-2-12-25-13-16)9-11-20-21(22)19(27-28-20)10-6-15-4-7-17(24)8-5-15;1-30-22-18(23(29)26-14-17-4-2-3-13-25-17)10-12-20-21(22)19(27-28-20)11-7-15-5-8-16(24)9-6-15;1-12(20(27)23-2)24-21(28)15-9-11-17-18(19(15)29-3)16(25-26-17)10-6-13-4-7-14(22)8-5-13/h5-12,19H,2-4,13H2,1H3,(H,25,30)(H,26,29)(H,27,28);6-13H,4-5,14H2,1-3H3,(H,25,30)(H,26,27);2*2-13H,14H2,1H3,(H,26,29)(H,27,28);4-12H,1-3H3,(H,23,27)(H,24,28)(H,25,26)/b11-7+;12-8+;10-6+;11-7+;10-6+/t;;;;12-/m....0/s1.
What are the key properties of N-[4-(dimethylamino)-4-oxobutyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxoazepan-3-yl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide?
N-[4-(dimethylamino)-4-oxobutyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxoazepan-3-yl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide has a molecular weight of 2048.22 g/mol, XLogP of 17.92, 31 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-4-oxobutyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-oxoazepan-3-yl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 158809560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).