N-[1-(azetidine-1-carbonyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[1-(diethylcarbamoyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(2-methylpropyl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(propan-2-yl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide

C100H106F4N16O12 — CID 157498921

IUPACN-[1-(azetidine-1-carbonyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[1-(diethylcarbamoyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(2-methylpropyl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(propan-2-yl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide
SMILESCCN(CC)C(=O)C1(NC(=O)c2ccc3n[nH]c(/C=C/c4ccc(F)cc4)c3c2OC)CC1.COc1c(C(=O)NC2(C(=O)N(C)C(C)C)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC2(C(=O)N(C)CC(C)C)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC2(C(=O)N3CCC3)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12
InChIInChI=1S/C26H29FN4O3.2C25H27FN4O3.C24H23FN4O3/c1-16(2)15-31(3)25(33)26(13-14-26)28-24(32)19-10-12-21-22(23(19)34-4)20(29-30-21)11-7-17-5-8-18(27)9-6-17;1-15(2)30(3)24(32)25(13-14-25)27-23(31)18-10-12-20-21(22(18)33-4)19(28-29-20)11-7-16-5-8-17(26)9-6-16;1-4-30(5-2)24(32)25(14-15-25)27-23(31)18-11-13-20-21(22(18)33-3)19(28-29-20)12-8-16-6-9-17(26)10-7-16;1-32-21-17(22(30)26-24(11-12-24)23(31)29-13-2-14-29)8-10-19-20(21)18(27-28-19)9-5-15-3-6-16(25)7-4-15/h5-12,16H,13-15H2,1-4H3,(H,28,32)(H,29,30);5-12,15H,13-14H2,1-4H3,(H,27,31)(H,28,29);6-13H,4-5,14-15H2,1-3H3,(H,27,31)(H,28,29);3-10H,2,11-14H2,1H3,(H,26,30)(H,27,28)/b2*11-7+;12-8+;9-5+
InChIKeyBYEBSFRJIGXMOA-PMUUACECSA-N
MW1800.04 g/mol
LogP15.66
Rot. Bonds29

About N-[1-(azetidine-1-carbonyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[1-(diethylcarbamoyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(2-methylpropyl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(propan-2-yl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide

N-[1-(azetidine-1-carbonyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[1-(diethylcarbamoyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(2-methylpropyl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(propan-2-yl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide (PubChem CID 157498921) has the molecular formula C100H106F4N16O12 and a molecular weight of 1800.04 g/mol. Its IUPAC name is N-[1-(azetidine-1-carbonyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[1-(diethylcarbamoyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(2-methylpropyl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(propan-2-yl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(azetidine-1-carbonyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[1-(diethylcarbamoyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(2-methylpropyl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(propan-2-yl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide
PubChem CID157498921
Molecular FormulaC100H106F4N16O12
Molecular Weight1800.04 g/mol
Exact Mass1798.81
IUPAC NameN-[1-(azetidine-1-carbonyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[1-(diethylcarbamoyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(2-methylpropyl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(propan-2-yl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide
SMILESCCN(CC)C(=O)C1(NC(=O)c2ccc3n[nH]c(/C=C/c4ccc(F)cc4)c3c2OC)CC1.COc1c(C(=O)NC2(C(=O)N(C)C(C)C)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC2(C(=O)N(C)CC(C)C)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC2(C(=O)N3CCC3)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12
InChIInChI=1S/C26H29FN4O3.2C25H27FN4O3.C24H23FN4O3/c1-16(2)15-31(3)25(33)26(13-14-26)28-24(32)19-10-12-21-22(23(19)34-4)20(29-30-21)11-7-17-5-8-18(27)9-6-17;1-15(2)30(3)24(32)25(13-14-25)27-23(31)18-10-12-20-21(22(18)33-4)19(28-29-20)11-7-16-5-8-17(26)9-6-16;1-4-30(5-2)24(32)25(14-15-25)27-23(31)18-11-13-20-21(22(18)33-3)19(28-29-20)12-8-16-6-9-17(26)10-7-16;1-32-21-17(22(30)26-24(11-12-24)23(31)29-13-2-14-29)8-10-19-20(21)18(27-28-19)9-5-15-3-6-16(25)7-4-15/h5-12,16H,13-15H2,1-4H3,(H,28,32)(H,29,30);5-12,15H,13-14H2,1-4H3,(H,27,31)(H,28,29);6-13H,4-5,14-15H2,1-3H3,(H,27,31)(H,28,29);3-10H,2,11-14H2,1H3,(H,26,30)(H,27,28)/b2*11-7+;12-8+;9-5+
InChIKeyBYEBSFRJIGXMOA-PMUUACECSA-N
XLogP15.66
TPSA349.28 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds29
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001800.04
LogP ≤ 515.66
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze N-[1-(azetidine-1-carbonyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[1-(diethylcarbamoyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(2-methylpropyl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(propan-2-yl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide with MolForge

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Related Compounds

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
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-(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-(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

Frequently Asked Questions

What is the IUPAC name of N-[1-(azetidine-1-carbonyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[1-(diethylcarbamoyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(2-methylpropyl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(propan-2-yl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide?
The IUPAC name of N-[1-(azetidine-1-carbonyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[1-(diethylcarbamoyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(2-methylpropyl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(propan-2-yl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide (CID 157498921) is N-[1-(azetidine-1-carbonyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[1-(diethylcarbamoyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(2-methylpropyl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(propan-2-yl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for N-[1-(azetidine-1-carbonyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[1-(diethylcarbamoyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(2-methylpropyl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(propan-2-yl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide?
The canonical SMILES for N-[1-(azetidine-1-carbonyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[1-(diethylcarbamoyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(2-methylpropyl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(propan-2-yl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide is CCN(CC)C(=O)C1(NC(=O)c2ccc3n[nH]c(/C=C/c4ccc(F)cc4)c3c2OC)CC1.COc1c(C(=O)NC2(C(=O)N(C)C(C)C)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC2(C(=O)N(C)CC(C)C)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC2(C(=O)N3CCC3)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.
What is the InChIKey of N-[1-(azetidine-1-carbonyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[1-(diethylcarbamoyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(2-methylpropyl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(propan-2-yl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide?
The InChIKey is BYEBSFRJIGXMOA-PMUUACECSA-N. The full InChI is InChI=1S/C26H29FN4O3.2C25H27FN4O3.C24H23FN4O3/c1-16(2)15-31(3)25(33)26(13-14-26)28-24(32)19-10-12-21-22(23(19)34-4)20(29-30-21)11-7-17-5-8-18(27)9-6-17;1-15(2)30(3)24(32)25(13-14-25)27-23(31)18-10-12-20-21(22(18)33-4)19(28-29-20)11-7-16-5-8-17(26)9-6-16;1-4-30(5-2)24(32)25(14-15-25)27-23(31)18-11-13-20-21(22(18)33-3)19(28-29-20)12-8-16-6-9-17(26)10-7-16;1-32-21-17(22(30)26-24(11-12-24)23(31)29-13-2-14-29)8-10-19-20(21)18(27-28-19)9-5-15-3-6-16(25)7-4-15/h5-12,16H,13-15H2,1-4H3,(H,28,32)(H,29,30);5-12,15H,13-14H2,1-4H3,(H,27,31)(H,28,29);6-13H,4-5,14-15H2,1-3H3,(H,27,31)(H,28,29);3-10H,2,11-14H2,1H3,(H,26,30)(H,27,28)/b2*11-7+;12-8+;9-5+.
What are the key properties of N-[1-(azetidine-1-carbonyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[1-(diethylcarbamoyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(2-methylpropyl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(propan-2-yl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide?
N-[1-(azetidine-1-carbonyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[1-(diethylcarbamoyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(2-methylpropyl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(propan-2-yl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide has a molecular weight of 1800.04 g/mol, XLogP of 15.66, 29 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azetidine-1-carbonyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-[1-(diethylcarbamoyl)cyclopropyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(2-methylpropyl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-[methyl(propan-2-yl)carbamoyl]cyclopropyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 157498921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).