3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(morpholine-4-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(piperidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide

C98H99F4N15O13 — CID 157049923

IUPAC3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(morpholine-4-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(piperidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC2(C(=O)N3CCCC3)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC2(C(=O)N3CCCCC3)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC2(C(=O)N3CCOCC3)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)N[C@@H]2CCC[C@H]2O)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12
InChIInChI=1S/C26H27FN4O3.C25H25FN4O4.C25H25FN4O3.C22H22FN3O3/c1-34-23-19(24(32)28-26(13-14-26)25(33)31-15-3-2-4-16-31)10-12-21-22(23)20(29-30-21)11-7-17-5-8-18(27)9-6-17;1-33-22-18(23(31)27-25(10-11-25)24(32)30-12-14-34-15-13-30)7-9-20-21(22)19(28-29-20)8-4-16-2-5-17(26)6-3-16;1-33-22-18(23(31)27-25(12-13-25)24(32)30-14-2-3-15-30)9-11-20-21(22)19(28-29-20)10-6-16-4-7-17(26)8-5-16;1-29-21-15(22(28)24-16-3-2-4-19(16)27)10-12-18-20(21)17(25-26-18)11-7-13-5-8-14(23)9-6-13/h5-12H,2-4,13-16H2,1H3,(H,28,32)(H,29,30);2-9H,10-15H2,1H3,(H,27,31)(H,28,29);4-11H,2-3,12-15H2,1H3,(H,27,31)(H,28,29);5-12,16,19,27H,2-4H2,1H3,(H,24,28)(H,25,26)/b11-7+;8-4+;10-6+;11-7+/t;;;16-,19-/m...1/s1
InChIKeyAABOSFJKMHHPBH-RJBNTKTBSA-N
MW1770.95 g/mol
LogP14.45
Rot. Bonds23

About 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(morpholine-4-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(piperidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide

3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(morpholine-4-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(piperidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide (PubChem CID 157049923) has the molecular formula C98H99F4N15O13 and a molecular weight of 1770.95 g/mol. Its IUPAC name is 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(morpholine-4-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(piperidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(morpholine-4-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(piperidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide
PubChem CID157049923
Molecular FormulaC98H99F4N15O13
Molecular Weight1770.95 g/mol
Exact Mass1769.75
IUPAC Name3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(morpholine-4-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(piperidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC2(C(=O)N3CCCC3)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC2(C(=O)N3CCCCC3)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC2(C(=O)N3CCOCC3)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)N[C@@H]2CCC[C@H]2O)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12
InChIInChI=1S/C26H27FN4O3.C25H25FN4O4.C25H25FN4O3.C22H22FN3O3/c1-34-23-19(24(32)28-26(13-14-26)25(33)31-15-3-2-4-16-31)10-12-21-22(23)20(29-30-21)11-7-17-5-8-18(27)9-6-17;1-33-22-18(23(31)27-25(10-11-25)24(32)30-12-14-34-15-13-30)7-9-20-21(22)19(28-29-20)8-4-16-2-5-17(26)6-3-16;1-33-22-18(23(31)27-25(12-13-25)24(32)30-14-2-3-15-30)9-11-20-21(22)19(28-29-20)10-6-16-4-7-17(26)8-5-16;1-29-21-15(22(28)24-16-3-2-4-19(16)27)10-12-18-20(21)17(25-26-18)11-7-13-5-8-14(23)9-6-13/h5-12H,2-4,13-16H2,1H3,(H,28,32)(H,29,30);2-9H,10-15H2,1H3,(H,27,31)(H,28,29);4-11H,2-3,12-15H2,1H3,(H,27,31)(H,28,29);5-12,16,19,27H,2-4H2,1H3,(H,24,28)(H,25,26)/b11-7+;8-4+;10-6+;11-7+/t;;;16-,19-/m...1/s1
InChIKeyAABOSFJKMHHPBH-RJBNTKTBSA-N
XLogP14.45
TPSA358.43 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms130
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001770.95
LogP ≤ 514.45
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(morpholine-4-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(piperidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(morpholine-4-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(piperidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide?
The IUPAC name of 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(morpholine-4-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(piperidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide (CID 157049923) is 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(morpholine-4-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(piperidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(morpholine-4-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(piperidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide?
The canonical SMILES for 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(morpholine-4-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(piperidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide is COc1c(C(=O)NC2(C(=O)N3CCCC3)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC2(C(=O)N3CCCCC3)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC2(C(=O)N3CCOCC3)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)N[C@@H]2CCC[C@H]2O)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.
What is the InChIKey of 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(morpholine-4-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(piperidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide?
The InChIKey is AABOSFJKMHHPBH-RJBNTKTBSA-N. The full InChI is InChI=1S/C26H27FN4O3.C25H25FN4O4.C25H25FN4O3.C22H22FN3O3/c1-34-23-19(24(32)28-26(13-14-26)25(33)31-15-3-2-4-16-31)10-12-21-22(23)20(29-30-21)11-7-17-5-8-18(27)9-6-17;1-33-22-18(23(31)27-25(10-11-25)24(32)30-12-14-34-15-13-30)7-9-20-21(22)19(28-29-20)8-4-16-2-5-17(26)6-3-16;1-33-22-18(23(31)27-25(12-13-25)24(32)30-14-2-3-15-30)9-11-20-21(22)19(28-29-20)10-6-16-4-7-17(26)8-5-16;1-29-21-15(22(28)24-16-3-2-4-19(16)27)10-12-18-20(21)17(25-26-18)11-7-13-5-8-14(23)9-6-13/h5-12H,2-4,13-16H2,1H3,(H,28,32)(H,29,30);2-9H,10-15H2,1H3,(H,27,31)(H,28,29);4-11H,2-3,12-15H2,1H3,(H,27,31)(H,28,29);5-12,16,19,27H,2-4H2,1H3,(H,24,28)(H,25,26)/b11-7+;8-4+;10-6+;11-7+/t;;;16-,19-/m...1/s1.
What are the key properties of 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(morpholine-4-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(piperidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide?
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(morpholine-4-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(piperidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide has a molecular weight of 1770.95 g/mol, XLogP of 14.45, 23 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(morpholine-4-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(piperidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 157049923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).