7-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid

C71H58F4N14O8 — CID 162234077

IUPAC7-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid
SMILESCC(C)[C@@H](CO)NC(=O)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1.Cn1nc(/C=C/c2cccnc2)c2cc(C(=O)O)cc(F)c21.O=C(NCc1ccco1)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1.O=C(O)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1
InChIInChI=1S/C20H15FN4O2.C20H21FN4O2.C16H12FN3O2.C15H10FN3O2/c21-17-10-14(20(26)23-12-15-4-2-8-27-15)9-16-18(24-25-19(16)17)6-5-13-3-1-7-22-11-13;1-12(2)18(11-26)23-20(27)14-8-15-17(24-25-19(15)16(21)9-14)6-5-13-4-3-7-22-10-13;1-20-15-12(7-11(16(21)22)8-13(15)17)14(19-20)5-4-10-3-2-6-18-9-10;16-12-7-10(15(20)21)6-11-13(18-19-14(11)12)4-3-9-2-1-5-17-8-9/h1-11H,12H2,(H,23,26)(H,24,25);3-10,12,18,26H,11H2,1-2H3,(H,23,27)(H,24,25);2-9H,1H3,(H,21,22);1-8H,(H,18,19)(H,20,21)/b2*6-5+;5-4+;4-3+/t;18-;;/m.1../s1
InChIKeyZVVFYIQPHCKLQD-XMXPEPRMSA-N
MW1311.33 g/mol
LogP12.75
Rot. Bonds17

About 7-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid

7-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid (PubChem CID 162234077) has the molecular formula C71H58F4N14O8 and a molecular weight of 1311.33 g/mol. Its IUPAC name is 7-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid
PubChem CID162234077
Molecular FormulaC71H58F4N14O8
Molecular Weight1311.33 g/mol
Exact Mass1310.45
IUPAC Name7-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid
SMILESCC(C)[C@@H](CO)NC(=O)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1.Cn1nc(/C=C/c2cccnc2)c2cc(C(=O)O)cc(F)c21.O=C(NCc1ccco1)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1.O=C(O)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1
InChIInChI=1S/C20H15FN4O2.C20H21FN4O2.C16H12FN3O2.C15H10FN3O2/c21-17-10-14(20(26)23-12-15-4-2-8-27-15)9-16-18(24-25-19(16)17)6-5-13-3-1-7-22-11-13;1-12(2)18(11-26)23-20(27)14-8-15-17(24-25-19(15)16(21)9-14)6-5-13-4-3-7-22-10-13;1-20-15-12(7-11(16(21)22)8-13(15)17)14(19-20)5-4-10-3-2-6-18-9-10;16-12-7-10(15(20)21)6-11-13(18-19-14(11)12)4-3-9-2-1-5-17-8-9/h1-11H,12H2,(H,23,26)(H,24,25);3-10,12,18,26H,11H2,1-2H3,(H,23,27)(H,24,25);2-9H,1H3,(H,21,22);1-8H,(H,18,19)(H,20,21)/b2*6-5+;5-4+;4-3+/t;18-;;/m.1../s1
InChIKeyZVVFYIQPHCKLQD-XMXPEPRMSA-N
XLogP12.75
TPSA321.59 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms97
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001311.33
LogP ≤ 512.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Analyze 7-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid?
The IUPAC name of 7-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid (CID 162234077) is 7-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid.
What is the SMILES notation for 7-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid?
The canonical SMILES for 7-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid is CC(C)[C@@H](CO)NC(=O)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1.Cn1nc(/C=C/c2cccnc2)c2cc(C(=O)O)cc(F)c21.O=C(NCc1ccco1)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1.O=C(O)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1.
What is the InChIKey of 7-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid?
The InChIKey is ZVVFYIQPHCKLQD-XMXPEPRMSA-N. The full InChI is InChI=1S/C20H15FN4O2.C20H21FN4O2.C16H12FN3O2.C15H10FN3O2/c21-17-10-14(20(26)23-12-15-4-2-8-27-15)9-16-18(24-25-19(16)17)6-5-13-3-1-7-22-11-13;1-12(2)18(11-26)23-20(27)14-8-15-17(24-25-19(15)16(21)9-14)6-5-13-4-3-7-22-10-13;1-20-15-12(7-11(16(21)22)8-13(15)17)14(19-20)5-4-10-3-2-6-18-9-10;16-12-7-10(15(20)21)6-11-13(18-19-14(11)12)4-3-9-2-1-5-17-8-9/h1-11H,12H2,(H,23,26)(H,24,25);3-10,12,18,26H,11H2,1-2H3,(H,23,27)(H,24,25);2-9H,1H3,(H,21,22);1-8H,(H,18,19)(H,20,21)/b2*6-5+;5-4+;4-3+/t;18-;;/m.1../s1.
What are the key properties of 7-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid?
7-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid has a molecular weight of 1311.33 g/mol, XLogP of 12.75, 17 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 162234077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).