3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide

C107H80F2N16O10S6 — CID 159302766

IUPAC3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccccn2)ccc2n[nH]c(-c3cc4ccccc4s3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(-c3cc4ccccc4s3)c12.COc1c(C(=O)NCc2ccoc2)ccc2n[nH]c(-c3cc4ccccc4s3)c12.O=C(NC1CC1)c1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1F.O=C(NCc1ccco1)c1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1F
InChIInChI=1S/C23H18N4O2S.C22H17N3O3S.C22H17N3O2S2.C21H14FN3O2S.C19H14FN3OS/c1-29-22-16(23(28)25-13-15-7-4-5-11-24-15)9-10-17-20(22)21(27-26-17)19-12-14-6-2-3-8-18(14)30-19;1-27-21-15(22(26)23-11-13-8-9-28-12-13)6-7-16-19(21)20(25-24-16)18-10-14-4-2-3-5-17(14)29-18;1-27-21-15(22(26)23-12-14-6-4-10-28-14)8-9-16-19(21)20(25-24-16)18-11-13-5-2-3-7-17(13)29-18;22-19-14(21(26)23-11-13-5-3-9-27-13)7-8-15-18(19)20(25-24-15)17-10-12-4-1-2-6-16(12)28-17;20-17-12(19(24)21-11-5-6-11)7-8-13-16(17)18(23-22-13)15-9-10-3-1-2-4-14(10)25-15/h2-12H,13H2,1H3,(H,25,28)(H,26,27);2-10,12H,11H2,1H3,(H,23,26)(H,24,25);2-11H,12H2,1H3,(H,23,26)(H,24,25);1-10H,11H2,(H,23,26)(H,24,25);1-4,7-9,11H,5-6H2,(H,21,24)(H,22,23)
InChIKeyLBNRZVJISZZPLQ-UHFFFAOYSA-N
MW1980.32 g/mol
LogP24.78
Rot. Bonds22

About 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide

3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 159302766) has the molecular formula C107H80F2N16O10S6 and a molecular weight of 1980.32 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
PubChem CID159302766
Molecular FormulaC107H80F2N16O10S6
Molecular Weight1980.32 g/mol
Exact Mass1978.45
IUPAC Name3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccccn2)ccc2n[nH]c(-c3cc4ccccc4s3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(-c3cc4ccccc4s3)c12.COc1c(C(=O)NCc2ccoc2)ccc2n[nH]c(-c3cc4ccccc4s3)c12.O=C(NC1CC1)c1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1F.O=C(NCc1ccco1)c1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1F
InChIInChI=1S/C23H18N4O2S.C22H17N3O3S.C22H17N3O2S2.C21H14FN3O2S.C19H14FN3OS/c1-29-22-16(23(28)25-13-15-7-4-5-11-24-15)9-10-17-20(22)21(27-26-17)19-12-14-6-2-3-8-18(14)30-19;1-27-21-15(22(26)23-11-13-8-9-28-12-13)6-7-16-19(21)20(25-24-16)18-10-14-4-2-3-5-17(14)29-18;1-27-21-15(22(26)23-12-14-6-4-10-28-14)8-9-16-19(21)20(25-24-16)18-11-13-5-2-3-7-17(13)29-18;22-19-14(21(26)23-11-13-5-3-9-27-13)7-8-15-18(19)20(25-24-15)17-10-12-4-1-2-6-16(12)28-17;20-17-12(19(24)21-11-5-6-11)7-8-13-16(17)18(23-22-13)15-9-10-3-1-2-4-14(10)25-15/h2-12H,13H2,1H3,(H,25,28)(H,26,27);2-10,12H,11H2,1H3,(H,23,26)(H,24,25);2-11H,12H2,1H3,(H,23,26)(H,24,25);1-10H,11H2,(H,23,26)(H,24,25);1-4,7-9,11H,5-6H2,(H,21,24)(H,22,23)
InChIKeyLBNRZVJISZZPLQ-UHFFFAOYSA-N
XLogP24.78
TPSA355.76 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms141
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001980.32
LogP ≤ 524.78
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Analyze 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (CID 159302766) is 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide is COc1c(C(=O)NCc2ccccn2)ccc2n[nH]c(-c3cc4ccccc4s3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(-c3cc4ccccc4s3)c12.COc1c(C(=O)NCc2ccoc2)ccc2n[nH]c(-c3cc4ccccc4s3)c12.O=C(NC1CC1)c1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1F.O=C(NCc1ccco1)c1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1F.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
The InChIKey is LBNRZVJISZZPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2S.C22H17N3O3S.C22H17N3O2S2.C21H14FN3O2S.C19H14FN3OS/c1-29-22-16(23(28)25-13-15-7-4-5-11-24-15)9-10-17-20(22)21(27-26-17)19-12-14-6-2-3-8-18(14)30-19;1-27-21-15(22(26)23-11-13-8-9-28-12-13)6-7-16-19(21)20(25-24-16)18-10-14-4-2-3-5-17(14)29-18;1-27-21-15(22(26)23-12-14-6-4-10-28-14)8-9-16-19(21)20(25-24-16)18-11-13-5-2-3-7-17(13)29-18;22-19-14(21(26)23-11-13-5-3-9-27-13)7-8-15-18(19)20(25-24-15)17-10-12-4-1-2-6-16(12)28-17;20-17-12(19(24)21-11-5-6-11)7-8-13-16(17)18(23-22-13)15-9-10-3-1-2-4-14(10)25-15/h2-12H,13H2,1H3,(H,25,28)(H,26,27);2-10,12H,11H2,1H3,(H,23,26)(H,24,25);2-11H,12H2,1H3,(H,23,26)(H,24,25);1-10H,11H2,(H,23,26)(H,24,25);1-4,7-9,11H,5-6H2,(H,21,24)(H,22,23).
What are the key properties of 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?
3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide has a molecular weight of 1980.32 g/mol, XLogP of 24.78, 22 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 159302766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).