1-acetyl-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide

C84H78F8N16O5 — CID 158617366

IUPAC1-acetyl-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CC1.NC1(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CC1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCCCN1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCNCC1
InChIInChI=1S/C23H22F2N4O2.2C21H20F2N4O.C19H16F2N4O/c1-14(30)29-10-8-16(9-11-29)23(31)26-22-12-18-20(27-28-21(18)13-19(22)25)7-4-15-2-5-17(24)6-3-15;22-15-4-1-13(2-5-15)3-6-18-16-11-20(17(23)12-19(16)27-26-18)25-21(28)14-7-9-24-10-8-14;22-14-7-4-13(5-8-14)6-9-17-15-11-20(16(23)12-19(15)27-26-17)25-21(28)18-3-1-2-10-24-18;20-12-4-1-11(2-5-12)3-6-15-13-9-17(14(21)10-16(13)25-24-15)23-18(26)19(22)7-8-19/h2-7,12-13,16H,8-11H2,1H3,(H,26,31)(H,27,28);1-6,11-12,14,24H,7-10H2,(H,25,28)(H,26,27);4-9,11-12,18,24H,1-3,10H2,(H,25,28)(H,26,27);1-6,9-10H,7-8,22H2,(H,23,26)(H,24,25)/b7-4+;6-3+;9-6+;6-3+
InChIKeyHXOAQGOBAJCKCL-DEPZCTFVSA-N
MW1543.64 g/mol
LogP15.69
Rot. Bonds16

About 1-acetyl-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide

1-acetyl-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide (PubChem CID 158617366) has the molecular formula C84H78F8N16O5 and a molecular weight of 1543.64 g/mol. Its IUPAC name is 1-acetyl-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide
PubChem CID158617366
Molecular FormulaC84H78F8N16O5
Molecular Weight1543.64 g/mol
Exact Mass1542.62
IUPAC Name1-acetyl-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CC1.NC1(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CC1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCCCN1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCNCC1
InChIInChI=1S/C23H22F2N4O2.2C21H20F2N4O.C19H16F2N4O/c1-14(30)29-10-8-16(9-11-29)23(31)26-22-12-18-20(27-28-21(18)13-19(22)25)7-4-15-2-5-17(24)6-3-15;22-15-4-1-13(2-5-15)3-6-18-16-11-20(17(23)12-19(16)27-26-18)25-21(28)14-7-9-24-10-8-14;22-14-7-4-13(5-8-14)6-9-17-15-11-20(16(23)12-19(15)27-26-17)25-21(28)18-3-1-2-10-24-18;20-12-4-1-11(2-5-12)3-6-15-13-9-17(14(21)10-16(13)25-24-15)23-18(26)19(22)7-8-19/h2-7,12-13,16H,8-11H2,1H3,(H,26,31)(H,27,28);1-6,11-12,14,24H,7-10H2,(H,25,28)(H,26,27);4-9,11-12,18,24H,1-3,10H2,(H,25,28)(H,26,27);1-6,9-10H,7-8,22H2,(H,23,26)(H,24,25)/b7-4+;6-3+;9-6+;6-3+
InChIKeyHXOAQGOBAJCKCL-DEPZCTFVSA-N
XLogP15.69
TPSA301.51 Ų
H-Bond Donors11
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001543.64
LogP ≤ 515.69
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1012

Analyze 1-acetyl-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

(3R)-1-[2-[(1R,4R)-5-(3-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-N-(3-phenyl-1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 57685771
5-[[(3R)-1-[2-[(1R,4R)-5-(3-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]pyrrolidine-3-carbonyl]amino]-N-methyl-1H-indazole-3-carboxamide
CID 57686216
(3R)-1-[2-[(1R,4R)-5-(3-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
CID 57686299
(3R)-1-[2-[(1S,4S)-5-(3-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-N-(3-phenyl-1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 68215475
5-[[(3R)-1-[2-[(1S,4S)-5-(3-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]pyrrolidine-3-carbonyl]amino]-N-methyl-1H-indazole-3-carboxamide
CID 71013604
(3R)-1-[2-[(1S,4S)-5-(3-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
CID 71013620
N-[(3S)-1-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;cyclopropyl-[4-(5-iodoindazol-1-yl)piperidin-1-yl]methanone;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine
CID 157898457
2,2-difluoro-N-[(2R,3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;(3,4-difluorophenyl)boronic acid;N-[(2R,3S)-1-[1-(3,4-difluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide
CID 158538779
2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenyl-1-(1-phenylindazol-5-yl)pyrrolidin-3-yl]propanamide;phenylboronic acid
CID 158582990
2,2-difluoro-N-[(2R,3S)-1-[1-(3-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;(3-fluorophenyl)boronic acid
CID 159325759
1-(4-acetylpiperazin-1-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methylcyclopropane-1-carboxamide
CID 159460058
(4-fluorophenyl)boronic acid;methane;(3R)-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-N-(3-phenyl-1H-indazol-5-yl)pyrrolidine-3-carboxamide;phenylboronic acid
CID 160760558

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide (CID 158617366) is 1-acetyl-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CC1.NC1(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CC1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCCCN1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCNCC1.
What is the InChIKey of 1-acetyl-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide?
The InChIKey is HXOAQGOBAJCKCL-DEPZCTFVSA-N. The full InChI is InChI=1S/C23H22F2N4O2.2C21H20F2N4O.C19H16F2N4O/c1-14(30)29-10-8-16(9-11-29)23(31)26-22-12-18-20(27-28-21(18)13-19(22)25)7-4-15-2-5-17(24)6-3-15;22-15-4-1-13(2-5-15)3-6-18-16-11-20(17(23)12-19(16)27-26-18)25-21(28)14-7-9-24-10-8-14;22-14-7-4-13(5-8-14)6-9-17-15-11-20(16(23)12-19(15)27-26-17)25-21(28)18-3-1-2-10-24-18;20-12-4-1-11(2-5-12)3-6-15-13-9-17(14(21)10-16(13)25-24-15)23-18(26)19(22)7-8-19/h2-7,12-13,16H,8-11H2,1H3,(H,26,31)(H,27,28);1-6,11-12,14,24H,7-10H2,(H,25,28)(H,26,27);4-9,11-12,18,24H,1-3,10H2,(H,25,28)(H,26,27);1-6,9-10H,7-8,22H2,(H,23,26)(H,24,25)/b7-4+;6-3+;9-6+;6-3+.
What are the key properties of 1-acetyl-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide?
1-acetyl-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide has a molecular weight of 1543.64 g/mol, XLogP of 15.69, 16 rotatable bonds, 11 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 158617366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).