N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide;(2S)-N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

C61H41F3N10O8S — CID 161202536

IUPACN-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide;(2S)-N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F.O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F)c1ccco1.O=C1CC[C@@H](C(=O)Nc2ccc3[nH]nc(-c4cc5ccccc5o4)c3c2F)N1
InChIInChI=1S/C21H14FN3O2S.C20H15FN4O3.C20H12FN3O3/c22-20-15(23-18(26)11-13-5-3-9-28-13)8-7-14-19(20)21(25-24-14)17-10-12-4-1-2-6-16(12)27-17;21-18-12(23-20(27)13-7-8-16(26)22-13)6-5-11-17(18)19(25-24-11)15-9-10-3-1-2-4-14(10)28-15;21-18-13(22-20(25)15-6-3-9-26-15)8-7-12-17(18)19(24-23-12)16-10-11-4-1-2-5-14(11)27-16/h1-10H,11H2,(H,23,26)(H,24,25);1-6,9,13H,7-8H2,(H,22,26)(H,23,27)(H,24,25);1-10H,(H,22,25)(H,23,24)/t;13-;/m.0./s1
InChIKeyUVEDCUXXFIAQGM-QESDSITOSA-N
MW1131.12 g/mol
LogP13.65
Rot. Bonds10

About N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide;(2S)-N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide;(2S)-N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 161202536) has the molecular formula C61H41F3N10O8S and a molecular weight of 1131.12 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide;(2S)-N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide;(2S)-N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
PubChem CID161202536
Molecular FormulaC61H41F3N10O8S
Molecular Weight1131.12 g/mol
Exact Mass1130.28
IUPAC NameN-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide;(2S)-N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F.O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F)c1ccco1.O=C1CC[C@@H](C(=O)Nc2ccc3[nH]nc(-c4cc5ccccc5o4)c3c2F)N1
InChIInChI=1S/C21H14FN3O2S.C20H15FN4O3.C20H12FN3O3/c22-20-15(23-18(26)11-13-5-3-9-28-13)8-7-14-19(20)21(25-24-14)17-10-12-4-1-2-6-16(12)27-17;21-18-12(23-20(27)13-7-8-16(26)22-13)6-5-11-17(18)19(25-24-11)15-9-10-3-1-2-4-14(10)28-15;21-18-13(22-20(25)15-6-3-9-26-15)8-7-12-17(18)19(24-23-12)16-10-11-4-1-2-5-14(11)27-16/h1-10H,11H2,(H,23,26)(H,24,25);1-6,9,13H,7-8H2,(H,22,26)(H,23,27)(H,24,25);1-10H,(H,22,25)(H,23,24)/t;13-;/m.0./s1
InChIKeyUVEDCUXXFIAQGM-QESDSITOSA-N
XLogP13.65
TPSA255.00 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001131.12
LogP ≤ 513.65
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Analyze N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide;(2S)-N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide with MolForge

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Related Compounds

(2R)-2-amino-N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3,3-dimethylbutanamide;(2R)-2-amino-N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-phenylmethoxypropanamide;(2R)-2-amino-N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methylbutanamide;(2R)-2-amino-N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-phenylpropanamide;(2R)-2-amino-N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-3,3-diphenylpropanamide;N-[3-(3-phenylphenyl)-1H-indazol-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 157307552
N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]furan-2-carboxamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]furan-3-carboxamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-thiophen-3-ylacetamide
CID 157120802
4-amino-N-(4-amino-3-ethanimidoylphenyl)-2-thiophen-3-ylbutanamide;4-amino-2-(2-fluorophenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide;4-amino-2-(furan-2-yl)-N-(1H-indazol-5-yl)butanamide;(2R)-4-amino-N-(3-methyl-2H-indazol-5-yl)-2-phenylbutanamide;(2S)-4-amino-N-(3-methyl-2H-indazol-5-yl)-2-phenylbutanamide;4-(benzylamino)-2-(2-fluorophenyl)-N-(1H-indazol-5-yl)butanamide;4-(benzylamino)-4-(2-fluorophenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide
CID 157472739
6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-amine;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;(2S)-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 157721259
5-(furan-2-carbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;5-(methanesulfonamido)-N-phenyl-1H-indazole-3-carboxamide;N-phenyl-5-[(2-thiophen-2-ylacetyl)amino]-1H-indazole-3-carboxamide
CID 157737869
N-(2-acetamidoethyl)-3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-1H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 157942684
N-(2-acetamidoethyl)-3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 157942685
3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 158021262
N-benzyl-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 158047421
(2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide
CID 158159548
N-benzyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 158168237
N-cyclopropyl-4-methoxy-3-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-3-ylethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-2H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-thiophen-3-ylethenyl]-2H-indazole-5-carboxamide
CID 158168460

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide;(2S)-N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide;(2S)-N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (CID 161202536) is N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide;(2S)-N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide;(2S)-N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide;(2S)-N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F.O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F)c1ccco1.O=C1CC[C@@H](C(=O)Nc2ccc3[nH]nc(-c4cc5ccccc5o4)c3c2F)N1.
What is the InChIKey of N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide;(2S)-N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The InChIKey is UVEDCUXXFIAQGM-QESDSITOSA-N. The full InChI is InChI=1S/C21H14FN3O2S.C20H15FN4O3.C20H12FN3O3/c22-20-15(23-18(26)11-13-5-3-9-28-13)8-7-14-19(20)21(25-24-14)17-10-12-4-1-2-6-16(12)27-17;21-18-12(23-20(27)13-7-8-16(26)22-13)6-5-11-17(18)19(25-24-11)15-9-10-3-1-2-4-14(10)28-15;21-18-13(22-20(25)15-6-3-9-26-15)8-7-12-17(18)19(24-23-12)16-10-11-4-1-2-5-14(11)27-16/h1-10H,11H2,(H,23,26)(H,24,25);1-6,9,13H,7-8H2,(H,22,26)(H,23,27)(H,24,25);1-10H,(H,22,25)(H,23,24)/t;13-;/m.0./s1.
What are the key properties of N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide;(2S)-N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide;(2S)-N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 1131.12 g/mol, XLogP of 13.65, 10 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide;(2S)-N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 161202536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).