3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine;5-(cyclopropanecarbonylamino)-3-(3-fluorophenyl)-1H-indazole-4-carboxylic acid;N-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide

C91H72F7N15O8S — CID 160721139

IUPAC3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine;5-(cyclopropanecarbonylamino)-3-(3-fluorophenyl)-1H-indazole-4-carboxylic acid;N-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cc3c(-c4cccc(F)c4)n[nH]c3cc2OC)c1.Nc1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.O=C(NC1CC1)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(NCC1CC1)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(O)c1c(NC(=O)C2CC2)ccc2[nH]nc(-c3cccc(F)c3)c12
InChIInChI=1S/C23H20FN3O3.C18H15F2N3O.C18H14FN3O3.C17H13F2N3O.C15H10FN3S/c1-29-18-8-4-6-15(10-18)23(28)25-13-16-11-19-20(12-21(16)30-2)26-27-22(19)14-5-3-7-17(24)9-14;19-13-3-1-2-11(6-13)16-14-7-12(8-15(20)17(14)23-22-16)18(24)21-9-10-4-5-10;19-11-3-1-2-10(8-11)16-14-13(21-22-16)7-6-12(15(14)18(24)25)20-17(23)9-4-5-9;18-11-3-1-2-9(6-11)15-13-7-10(17(23)20-12-4-5-12)8-14(19)16(13)22-21-15;16-10-7-12-9(6-11(10)17)15(19-18-12)14-5-8-3-1-2-4-13(8)20-14/h3-12H,13H2,1-2H3,(H,25,28)(H,26,27);1-3,6-8,10H,4-5,9H2,(H,21,24)(H,22,23);1-3,6-9H,4-5H2,(H,20,23)(H,21,22)(H,24,25);1-3,6-8,12H,4-5H2,(H,20,23)(H,21,22);1-7H,17H2,(H,18,19)
InChIKeyRTCSUTLBFGFJOW-UHFFFAOYSA-N
MW1668.73 g/mol
LogP18.95
Rot. Bonds18

About 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine;5-(cyclopropanecarbonylamino)-3-(3-fluorophenyl)-1H-indazole-4-carboxylic acid;N-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide

3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine;5-(cyclopropanecarbonylamino)-3-(3-fluorophenyl)-1H-indazole-4-carboxylic acid;N-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide (PubChem CID 160721139) has the molecular formula C91H72F7N15O8S and a molecular weight of 1668.73 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine;5-(cyclopropanecarbonylamino)-3-(3-fluorophenyl)-1H-indazole-4-carboxylic acid;N-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine;5-(cyclopropanecarbonylamino)-3-(3-fluorophenyl)-1H-indazole-4-carboxylic acid;N-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide
PubChem CID160721139
Molecular FormulaC91H72F7N15O8S
Molecular Weight1668.73 g/mol
Exact Mass1667.53
IUPAC Name3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine;5-(cyclopropanecarbonylamino)-3-(3-fluorophenyl)-1H-indazole-4-carboxylic acid;N-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cc3c(-c4cccc(F)c4)n[nH]c3cc2OC)c1.Nc1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.O=C(NC1CC1)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(NCC1CC1)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(O)c1c(NC(=O)C2CC2)ccc2[nH]nc(-c3cccc(F)c3)c12
InChIInChI=1S/C23H20FN3O3.C18H15F2N3O.C18H14FN3O3.C17H13F2N3O.C15H10FN3S/c1-29-18-8-4-6-15(10-18)23(28)25-13-16-11-19-20(12-21(16)30-2)26-27-22(19)14-5-3-7-17(24)9-14;19-13-3-1-2-11(6-13)16-14-7-12(8-15(20)17(14)23-22-16)18(24)21-9-10-4-5-10;19-11-3-1-2-10(8-11)16-14-13(21-22-16)7-6-12(15(14)18(24)25)20-17(23)9-4-5-9;18-11-3-1-2-9(6-11)15-13-7-10(17(23)20-12-4-5-12)8-14(19)16(13)22-21-15;16-10-7-12-9(6-11(10)17)15(19-18-12)14-5-8-3-1-2-4-13(8)20-14/h3-12H,13H2,1-2H3,(H,25,28)(H,26,27);1-3,6-8,10H,4-5,9H2,(H,21,24)(H,22,23);1-3,6-9H,4-5H2,(H,20,23)(H,21,22)(H,24,25);1-3,6-8,12H,4-5H2,(H,20,23)(H,21,22);1-7H,17H2,(H,18,19)
InChIKeyRTCSUTLBFGFJOW-UHFFFAOYSA-N
XLogP18.95
TPSA341.58 Ų
H-Bond Donors11
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001668.73
LogP ≤ 518.95
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine;5-(cyclopropanecarbonylamino)-3-(3-fluorophenyl)-1H-indazole-4-carboxylic acid;N-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide with MolForge

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Related Compounds

3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine;5-(cyclopropanecarbonylamino)-3-(3-fluorophenyl)-1H-indazole-4-carboxylic acid;6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-amine;6-fluoro-3-naphthalen-2-yl-1H-indazol-5-amine;3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-amine;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide
CID 158041503
N-benzyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 158089701
N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide;N-cyclopropyl-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)methanesulfonamide;N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide;6-methoxy-3-naphthalen-2-yl-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide
CID 158221710
N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-(dimethylamino)propanamide;N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide;N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]thiophene-2-carboxamide;N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)methyl]-3-methoxybenzamide
CID 158271076
3-(1-benzofuran-2-yl)-N-cyclopropyl-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-2H-indazole-5-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]acetamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-2-thiophen-2-ylacetamide
CID 159224493
N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide;N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide;N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-3-methoxybenzamide;N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide
CID 160656644
N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]acetamide;3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 161396826
N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide;N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[4-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methanesulfonamide;N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methanesulfonamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]methanesulfonamide
CID 161528251
3-(1-benzofuran-2-yl)-4-fluoro-1-methylindazol-5-amine;3-(1-benzothiophen-2-yl)-6-methoxy-1H-indazole-5-carboxylic acid;(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)methanamine;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide;6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid
CID 161963227

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine;5-(cyclopropanecarbonylamino)-3-(3-fluorophenyl)-1H-indazole-4-carboxylic acid;N-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide?
The IUPAC name of 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine;5-(cyclopropanecarbonylamino)-3-(3-fluorophenyl)-1H-indazole-4-carboxylic acid;N-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide (CID 160721139) is 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine;5-(cyclopropanecarbonylamino)-3-(3-fluorophenyl)-1H-indazole-4-carboxylic acid;N-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine;5-(cyclopropanecarbonylamino)-3-(3-fluorophenyl)-1H-indazole-4-carboxylic acid;N-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine;5-(cyclopropanecarbonylamino)-3-(3-fluorophenyl)-1H-indazole-4-carboxylic acid;N-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2cc3c(-c4cccc(F)c4)n[nH]c3cc2OC)c1.Nc1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.O=C(NC1CC1)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(NCC1CC1)c1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(O)c1c(NC(=O)C2CC2)ccc2[nH]nc(-c3cccc(F)c3)c12.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine;5-(cyclopropanecarbonylamino)-3-(3-fluorophenyl)-1H-indazole-4-carboxylic acid;N-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide?
The InChIKey is RTCSUTLBFGFJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3.C18H15F2N3O.C18H14FN3O3.C17H13F2N3O.C15H10FN3S/c1-29-18-8-4-6-15(10-18)23(28)25-13-16-11-19-20(12-21(16)30-2)26-27-22(19)14-5-3-7-17(24)9-14;19-13-3-1-2-11(6-13)16-14-7-12(8-15(20)17(14)23-22-16)18(24)21-9-10-4-5-10;19-11-3-1-2-10(8-11)16-14-13(21-22-16)7-6-12(15(14)18(24)25)20-17(23)9-4-5-9;18-11-3-1-2-9(6-11)15-13-7-10(17(23)20-12-4-5-12)8-14(19)16(13)22-21-15;16-10-7-12-9(6-11(10)17)15(19-18-12)14-5-8-3-1-2-4-13(8)20-14/h3-12H,13H2,1-2H3,(H,25,28)(H,26,27);1-3,6-8,10H,4-5,9H2,(H,21,24)(H,22,23);1-3,6-9H,4-5H2,(H,20,23)(H,21,22)(H,24,25);1-3,6-8,12H,4-5H2,(H,20,23)(H,21,22);1-7H,17H2,(H,18,19).
What are the key properties of 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine;5-(cyclopropanecarbonylamino)-3-(3-fluorophenyl)-1H-indazole-4-carboxylic acid;N-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide?
3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine;5-(cyclopropanecarbonylamino)-3-(3-fluorophenyl)-1H-indazole-4-carboxylic acid;N-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide has a molecular weight of 1668.73 g/mol, XLogP of 18.95, 18 rotatable bonds, 11 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine;5-(cyclopropanecarbonylamino)-3-(3-fluorophenyl)-1H-indazole-4-carboxylic acid;N-cyclopropyl-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-7-fluoro-3-(3-fluorophenyl)-2H-indazole-5-carboxamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 160721139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).