3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide

C98H96F5N15O14S — CID 159174781

IUPAC3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide
SMILESCOc1cc(C(=O)NCCSC)cc2c(-c3cccc(F)c3)n[nH]c12.COc1cc(C(=O)NC[C@@H]2CCCO2)cc2c(-c3cccc(F)c3)n[nH]c12.COc1cc(C(=O)NC[C@H]2CCCO2)cc2c(-c3cccc(F)c3)n[nH]c12.COc1cc(C(=O)NCc2ccco2)cc2c(-c3cccc(F)c3)n[nH]c12.COc1cc(C(=O)N[C@H](CO)C(C)C)cc2c(-c3cccc(F)c3)n[nH]c12
InChIInChI=1S/2C20H20FN3O3.C20H16FN3O3.C20H22FN3O3.C18H18FN3O2S/c3*1-26-17-10-13(20(25)22-11-15-6-3-7-27-15)9-16-18(23-24-19(16)17)12-4-2-5-14(21)8-12;1-11(2)16(10-25)22-20(26)13-8-15-18(12-5-4-6-14(21)7-12)23-24-19(15)17(9-13)27-3;1-24-15-10-12(18(23)20-6-7-25-2)9-14-16(21-22-17(14)15)11-4-3-5-13(19)8-11/h2*2,4-5,8-10,15H,3,6-7,11H2,1H3,(H,22,25)(H,23,24);2-10H,11H2,1H3,(H,22,25)(H,23,24);4-9,11,16,25H,10H2,1-3H3,(H,22,26)(H,23,24);3-5,8-10H,6-7H2,1-2H3,(H,20,23)(H,21,22)/t2*15-;;16-;/m10.1./s1
InChIKeyKMDDXZKYFOGJCY-MGWQOLIXSA-N
MW1834.99 g/mol
LogP17.07
Rot. Bonds27

About 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide

3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide (PubChem CID 159174781) has the molecular formula C98H96F5N15O14S and a molecular weight of 1834.99 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide
PubChem CID159174781
Molecular FormulaC98H96F5N15O14S
Molecular Weight1834.99 g/mol
Exact Mass1833.69
IUPAC Name3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide
SMILESCOc1cc(C(=O)NCCSC)cc2c(-c3cccc(F)c3)n[nH]c12.COc1cc(C(=O)NC[C@@H]2CCCO2)cc2c(-c3cccc(F)c3)n[nH]c12.COc1cc(C(=O)NC[C@H]2CCCO2)cc2c(-c3cccc(F)c3)n[nH]c12.COc1cc(C(=O)NCc2ccco2)cc2c(-c3cccc(F)c3)n[nH]c12.COc1cc(C(=O)N[C@H](CO)C(C)C)cc2c(-c3cccc(F)c3)n[nH]c12
InChIInChI=1S/2C20H20FN3O3.C20H16FN3O3.C20H22FN3O3.C18H18FN3O2S/c3*1-26-17-10-13(20(25)22-11-15-6-3-7-27-15)9-16-18(23-24-19(16)17)12-4-2-5-14(21)8-12;1-11(2)16(10-25)22-20(26)13-8-15-18(12-5-4-6-14(21)7-12)23-24-19(15)17(9-13)27-3;1-24-15-10-12(18(23)20-6-7-25-2)9-14-16(21-22-17(14)15)11-4-3-5-13(19)8-11/h2*2,4-5,8-10,15H,3,6-7,11H2,1H3,(H,22,25)(H,23,24);2-10H,11H2,1H3,(H,22,25)(H,23,24);4-9,11,16,25H,10H2,1-3H3,(H,22,26)(H,23,24);3-5,8-10H,6-7H2,1-2H3,(H,20,23)(H,21,22)/t2*15-;;16-;/m10.1./s1
InChIKeyKMDDXZKYFOGJCY-MGWQOLIXSA-N
XLogP17.07
TPSA386.88 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001834.99
LogP ≤ 517.07
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide (CID 159174781) is 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide is COc1cc(C(=O)NCCSC)cc2c(-c3cccc(F)c3)n[nH]c12.COc1cc(C(=O)NC[C@@H]2CCCO2)cc2c(-c3cccc(F)c3)n[nH]c12.COc1cc(C(=O)NC[C@H]2CCCO2)cc2c(-c3cccc(F)c3)n[nH]c12.COc1cc(C(=O)NCc2ccco2)cc2c(-c3cccc(F)c3)n[nH]c12.COc1cc(C(=O)N[C@H](CO)C(C)C)cc2c(-c3cccc(F)c3)n[nH]c12.
What is the InChIKey of 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide?
The InChIKey is KMDDXZKYFOGJCY-MGWQOLIXSA-N. The full InChI is InChI=1S/2C20H20FN3O3.C20H16FN3O3.C20H22FN3O3.C18H18FN3O2S/c3*1-26-17-10-13(20(25)22-11-15-6-3-7-27-15)9-16-18(23-24-19(16)17)12-4-2-5-14(21)8-12;1-11(2)16(10-25)22-20(26)13-8-15-18(12-5-4-6-14(21)7-12)23-24-19(15)17(9-13)27-3;1-24-15-10-12(18(23)20-6-7-25-2)9-14-16(21-22-17(14)15)11-4-3-5-13(19)8-11/h2*2,4-5,8-10,15H,3,6-7,11H2,1H3,(H,22,25)(H,23,24);2-10H,11H2,1H3,(H,22,25)(H,23,24);4-9,11,16,25H,10H2,1-3H3,(H,22,26)(H,23,24);3-5,8-10H,6-7H2,1-2H3,(H,20,23)(H,21,22)/t2*15-;;16-;/m10.1./s1.
What are the key properties of 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide?
3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide has a molecular weight of 1834.99 g/mol, XLogP of 17.07, 27 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-(2-methylsulfanylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-7-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 159174781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).