benzyl N-[(2S)-1-[[3-(3-fluorophenyl)-1H-indazol-6-yl]amino]-1-oxopropan-2-yl]carbamate;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]cyclopropanecarboxamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-phenoxypropanamide;N-[3-(3-fluorophenyl)-1H-indazol-7-yl]-3-phenoxybenzamide;N-[(3S)-2-oxooxolan-3-yl]-3-quinolin-2-yl-1H-indazole-5-carboxamide

C134H109F5N20O13 — CID 159945132

IUPACbenzyl N-[(2S)-1-[[3-(3-fluorophenyl)-1H-indazol-6-yl]amino]-1-oxopropan-2-yl]carbamate;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]cyclopropanecarboxamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-phenoxypropanamide;N-[3-(3-fluorophenyl)-1H-indazol-7-yl]-3-phenoxybenzamide;N-[(3S)-2-oxooxolan-3-yl]-3-quinolin-2-yl-1H-indazole-5-carboxamide
SMILESCOc1cccc(C(=O)NCc2ccc3[nH]nc(-c4cccc(F)c4)c3c2)c1.C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(-c3cccc(F)c3)n[nH]c2c1.O=C(CCOc1ccccc1)NCc1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NCc1ccc2[nH]nc(-c3cccc(F)c3)c2c1)C1CC1.O=C(N[C@H]1CCOC1=O)c1ccc2[nH]nc(-c3ccc4ccccc4n3)c2c1.O=C(Nc1cccc2c(-c3cccc(F)c3)n[nH]c12)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C26H18FN3O2.C24H21FN4O3.C23H20FN3O2.C22H18FN3O2.C21H16N4O3.C18H16FN3O/c27-19-9-4-7-17(15-19)24-22-13-6-14-23(25(22)30-29-24)28-26(31)18-8-5-12-21(16-18)32-20-10-2-1-3-11-20;1-15(26-24(31)32-14-16-6-3-2-4-7-16)23(30)27-19-10-11-20-21(13-19)28-29-22(20)17-8-5-9-18(25)12-17;24-18-6-4-5-17(14-18)23-20-13-16(9-10-21(20)26-27-23)15-25-22(28)11-12-29-19-7-2-1-3-8-19;1-28-18-7-3-5-16(12-18)22(27)24-13-14-8-9-20-19(10-14)21(26-25-20)15-4-2-6-17(23)11-15;26-20(23-18-9-10-28-21(18)27)13-6-7-16-14(11-13)19(25-24-16)17-8-5-12-3-1-2-4-15(12)22-17;19-14-3-1-2-13(9-14)17-15-8-11(4-7-16(15)21-22-17)10-20-18(23)12-5-6-12/h1-16H,(H,28,31)(H,29,30);2-13,15H,14H2,1H3,(H,26,31)(H,27,30)(H,28,29);1-10,13-14H,11-12,15H2,(H,25,28)(H,26,27);2-12H,13H2,1H3,(H,24,27)(H,25,26);1-8,11,18H,9-10H2,(H,23,26)(H,24,25);1-4,7-9,12H,5-6,10H2,(H,20,23)(H,21,22)/t;15-;;;18-;/m.0..0./s1
InChIKeyOBJQHLZTWGLJNM-LTJMTPAKSA-N
MW2302.46 g/mol
LogP26.02
Rot. Bonds30

About benzyl N-[(2S)-1-[[3-(3-fluorophenyl)-1H-indazol-6-yl]amino]-1-oxopropan-2-yl]carbamate;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]cyclopropanecarboxamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-phenoxypropanamide;N-[3-(3-fluorophenyl)-1H-indazol-7-yl]-3-phenoxybenzamide;N-[(3S)-2-oxooxolan-3-yl]-3-quinolin-2-yl-1H-indazole-5-carboxamide

benzyl N-[(2S)-1-[[3-(3-fluorophenyl)-1H-indazol-6-yl]amino]-1-oxopropan-2-yl]carbamate;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]cyclopropanecarboxamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-phenoxypropanamide;N-[3-(3-fluorophenyl)-1H-indazol-7-yl]-3-phenoxybenzamide;N-[(3S)-2-oxooxolan-3-yl]-3-quinolin-2-yl-1H-indazole-5-carboxamide (PubChem CID 159945132) has the molecular formula C134H109F5N20O13 and a molecular weight of 2302.46 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[[3-(3-fluorophenyl)-1H-indazol-6-yl]amino]-1-oxopropan-2-yl]carbamate;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]cyclopropanecarboxamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-phenoxypropanamide;N-[3-(3-fluorophenyl)-1H-indazol-7-yl]-3-phenoxybenzamide;N-[(3S)-2-oxooxolan-3-yl]-3-quinolin-2-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-[[3-(3-fluorophenyl)-1H-indazol-6-yl]amino]-1-oxopropan-2-yl]carbamate;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]cyclopropanecarboxamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-phenoxypropanamide;N-[3-(3-fluorophenyl)-1H-indazol-7-yl]-3-phenoxybenzamide;N-[(3S)-2-oxooxolan-3-yl]-3-quinolin-2-yl-1H-indazole-5-carboxamide
PubChem CID159945132
Molecular FormulaC134H109F5N20O13
Molecular Weight2302.46 g/mol
Exact Mass2300.84
IUPAC Namebenzyl N-[(2S)-1-[[3-(3-fluorophenyl)-1H-indazol-6-yl]amino]-1-oxopropan-2-yl]carbamate;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]cyclopropanecarboxamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-phenoxypropanamide;N-[3-(3-fluorophenyl)-1H-indazol-7-yl]-3-phenoxybenzamide;N-[(3S)-2-oxooxolan-3-yl]-3-quinolin-2-yl-1H-indazole-5-carboxamide
SMILESCOc1cccc(C(=O)NCc2ccc3[nH]nc(-c4cccc(F)c4)c3c2)c1.C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(-c3cccc(F)c3)n[nH]c2c1.O=C(CCOc1ccccc1)NCc1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NCc1ccc2[nH]nc(-c3cccc(F)c3)c2c1)C1CC1.O=C(N[C@H]1CCOC1=O)c1ccc2[nH]nc(-c3ccc4ccccc4n3)c2c1.O=C(Nc1cccc2c(-c3cccc(F)c3)n[nH]c12)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C26H18FN3O2.C24H21FN4O3.C23H20FN3O2.C22H18FN3O2.C21H16N4O3.C18H16FN3O/c27-19-9-4-7-17(15-19)24-22-13-6-14-23(25(22)30-29-24)28-26(31)18-8-5-12-21(16-18)32-20-10-2-1-3-11-20;1-15(26-24(31)32-14-16-6-3-2-4-7-16)23(30)27-19-10-11-20-21(13-19)28-29-22(20)17-8-5-9-18(25)12-17;24-18-6-4-5-17(14-18)23-20-13-16(9-10-21(20)26-27-23)15-25-22(28)11-12-29-19-7-2-1-3-8-19;1-28-18-7-3-5-16(12-18)22(27)24-13-14-8-9-20-19(10-14)21(26-25-20)15-4-2-6-17(23)11-15;26-20(23-18-9-10-28-21(18)27)13-6-7-16-14(11-13)19(25-24-16)17-8-5-12-3-1-2-4-15(12)22-17;19-14-3-1-2-13(9-14)17-15-8-11(4-7-16(15)21-22-17)10-20-18(23)12-5-6-12/h1-16H,(H,28,31)(H,29,30);2-13,15H,14H2,1H3,(H,26,31)(H,27,30)(H,28,29);1-10,13-14H,11-12,15H2,(H,25,28)(H,26,27);2-12H,13H2,1H3,(H,24,27)(H,25,26);1-8,11,18H,9-10H2,(H,23,26)(H,24,25);1-4,7-9,12H,5-6,10H2,(H,20,23)(H,21,22)/t;15-;;;18-;/m.0..0./s1
InChIKeyOBJQHLZTWGLJNM-LTJMTPAKSA-N
XLogP26.02
TPSA451.89 Ų
H-Bond Donors13
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002302.46
LogP ≤ 526.02
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1020

Analyze benzyl N-[(2S)-1-[[3-(3-fluorophenyl)-1H-indazol-6-yl]amino]-1-oxopropan-2-yl]carbamate;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]cyclopropanecarboxamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-phenoxypropanamide;N-[3-(3-fluorophenyl)-1H-indazol-7-yl]-3-phenoxybenzamide;N-[(3S)-2-oxooxolan-3-yl]-3-quinolin-2-yl-1H-indazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[[3-(3-fluorophenyl)-1H-indazol-6-yl]amino]-1-oxopropan-2-yl]carbamate;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]cyclopropanecarboxamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-phenoxypropanamide;N-[3-(3-fluorophenyl)-1H-indazol-7-yl]-3-phenoxybenzamide;N-[(3S)-2-oxooxolan-3-yl]-3-quinolin-2-yl-1H-indazole-5-carboxamide?
The IUPAC name of benzyl N-[(2S)-1-[[3-(3-fluorophenyl)-1H-indazol-6-yl]amino]-1-oxopropan-2-yl]carbamate;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]cyclopropanecarboxamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-phenoxypropanamide;N-[3-(3-fluorophenyl)-1H-indazol-7-yl]-3-phenoxybenzamide;N-[(3S)-2-oxooxolan-3-yl]-3-quinolin-2-yl-1H-indazole-5-carboxamide (CID 159945132) is benzyl N-[(2S)-1-[[3-(3-fluorophenyl)-1H-indazol-6-yl]amino]-1-oxopropan-2-yl]carbamate;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]cyclopropanecarboxamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-phenoxypropanamide;N-[3-(3-fluorophenyl)-1H-indazol-7-yl]-3-phenoxybenzamide;N-[(3S)-2-oxooxolan-3-yl]-3-quinolin-2-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for benzyl N-[(2S)-1-[[3-(3-fluorophenyl)-1H-indazol-6-yl]amino]-1-oxopropan-2-yl]carbamate;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]cyclopropanecarboxamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-phenoxypropanamide;N-[3-(3-fluorophenyl)-1H-indazol-7-yl]-3-phenoxybenzamide;N-[(3S)-2-oxooxolan-3-yl]-3-quinolin-2-yl-1H-indazole-5-carboxamide?
The canonical SMILES for benzyl N-[(2S)-1-[[3-(3-fluorophenyl)-1H-indazol-6-yl]amino]-1-oxopropan-2-yl]carbamate;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]cyclopropanecarboxamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-phenoxypropanamide;N-[3-(3-fluorophenyl)-1H-indazol-7-yl]-3-phenoxybenzamide;N-[(3S)-2-oxooxolan-3-yl]-3-quinolin-2-yl-1H-indazole-5-carboxamide is COc1cccc(C(=O)NCc2ccc3[nH]nc(-c4cccc(F)c4)c3c2)c1.C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(-c3cccc(F)c3)n[nH]c2c1.O=C(CCOc1ccccc1)NCc1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NCc1ccc2[nH]nc(-c3cccc(F)c3)c2c1)C1CC1.O=C(N[C@H]1CCOC1=O)c1ccc2[nH]nc(-c3ccc4ccccc4n3)c2c1.O=C(Nc1cccc2c(-c3cccc(F)c3)n[nH]c12)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of benzyl N-[(2S)-1-[[3-(3-fluorophenyl)-1H-indazol-6-yl]amino]-1-oxopropan-2-yl]carbamate;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]cyclopropanecarboxamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-phenoxypropanamide;N-[3-(3-fluorophenyl)-1H-indazol-7-yl]-3-phenoxybenzamide;N-[(3S)-2-oxooxolan-3-yl]-3-quinolin-2-yl-1H-indazole-5-carboxamide?
The InChIKey is OBJQHLZTWGLJNM-LTJMTPAKSA-N. The full InChI is InChI=1S/C26H18FN3O2.C24H21FN4O3.C23H20FN3O2.C22H18FN3O2.C21H16N4O3.C18H16FN3O/c27-19-9-4-7-17(15-19)24-22-13-6-14-23(25(22)30-29-24)28-26(31)18-8-5-12-21(16-18)32-20-10-2-1-3-11-20;1-15(26-24(31)32-14-16-6-3-2-4-7-16)23(30)27-19-10-11-20-21(13-19)28-29-22(20)17-8-5-9-18(25)12-17;24-18-6-4-5-17(14-18)23-20-13-16(9-10-21(20)26-27-23)15-25-22(28)11-12-29-19-7-2-1-3-8-19;1-28-18-7-3-5-16(12-18)22(27)24-13-14-8-9-20-19(10-14)21(26-25-20)15-4-2-6-17(23)11-15;26-20(23-18-9-10-28-21(18)27)13-6-7-16-14(11-13)19(25-24-16)17-8-5-12-3-1-2-4-15(12)22-17;19-14-3-1-2-13(9-14)17-15-8-11(4-7-16(15)21-22-17)10-20-18(23)12-5-6-12/h1-16H,(H,28,31)(H,29,30);2-13,15H,14H2,1H3,(H,26,31)(H,27,30)(H,28,29);1-10,13-14H,11-12,15H2,(H,25,28)(H,26,27);2-12H,13H2,1H3,(H,24,27)(H,25,26);1-8,11,18H,9-10H2,(H,23,26)(H,24,25);1-4,7-9,12H,5-6,10H2,(H,20,23)(H,21,22)/t;15-;;;18-;/m.0..0./s1.
What are the key properties of benzyl N-[(2S)-1-[[3-(3-fluorophenyl)-1H-indazol-6-yl]amino]-1-oxopropan-2-yl]carbamate;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]cyclopropanecarboxamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-phenoxypropanamide;N-[3-(3-fluorophenyl)-1H-indazol-7-yl]-3-phenoxybenzamide;N-[(3S)-2-oxooxolan-3-yl]-3-quinolin-2-yl-1H-indazole-5-carboxamide?
benzyl N-[(2S)-1-[[3-(3-fluorophenyl)-1H-indazol-6-yl]amino]-1-oxopropan-2-yl]carbamate;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]cyclopropanecarboxamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-phenoxypropanamide;N-[3-(3-fluorophenyl)-1H-indazol-7-yl]-3-phenoxybenzamide;N-[(3S)-2-oxooxolan-3-yl]-3-quinolin-2-yl-1H-indazole-5-carboxamide has a molecular weight of 2302.46 g/mol, XLogP of 26.02, 30 rotatable bonds, 13 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-[[3-(3-fluorophenyl)-1H-indazol-6-yl]amino]-1-oxopropan-2-yl]carbamate;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]cyclopropanecarboxamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-phenoxypropanamide;N-[3-(3-fluorophenyl)-1H-indazol-7-yl]-3-phenoxybenzamide;N-[(3S)-2-oxooxolan-3-yl]-3-quinolin-2-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 159945132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).