N-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide

C86H77F4N13O14 — CID 157377219

IUPACN-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide
SMILESCOc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCC4CC4)c(OC)c23)cc1F.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4ccco4)c(OC)c23)cc1F.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4cnccn4)c(OC)c23)cc1F.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)O)c(OC)c23)cc1F
InChIInChI=1S/C23H20FN5O3.C23H20FN3O4.C22H22FN3O3.C18H15FN2O4/c1-31-20-8-4-14(11-17(20)24)3-6-18-21-19(29-28-18)7-5-16(22(21)32-2)23(30)27-13-15-12-25-9-10-26-15;1-29-20-10-6-14(12-17(20)24)5-8-18-21-19(27-26-18)9-7-16(22(21)30-2)23(28)25-13-15-4-3-11-31-15;1-28-19-10-6-13(11-16(19)23)5-8-17-20-18(26-25-17)9-7-15(21(20)29-2)22(27)24-12-14-3-4-14;1-24-15-8-4-10(9-12(15)19)3-6-13-16-14(21-20-13)7-5-11(18(22)23)17(16)25-2/h3-12H,13H2,1-2H3,(H,27,30)(H,28,29);3-12H,13H2,1-2H3,(H,25,28)(H,26,27);5-11,14H,3-4,12H2,1-2H3,(H,24,27)(H,25,26);3-9H,1-2H3,(H,20,21)(H,22,23)/b6-3+;2*8-5+;6-3+
InChIKeyBKLOPLFQVSSFNJ-VHFQPGPUSA-N
MW1592.63 g/mol
LogP15.64
Rot. Bonds26

About N-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide

N-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 157377219) has the molecular formula C86H77F4N13O14 and a molecular weight of 1592.63 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide
PubChem CID157377219
Molecular FormulaC86H77F4N13O14
Molecular Weight1592.63 g/mol
Exact Mass1591.56
IUPAC NameN-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide
SMILESCOc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCC4CC4)c(OC)c23)cc1F.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4ccco4)c(OC)c23)cc1F.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4cnccn4)c(OC)c23)cc1F.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)O)c(OC)c23)cc1F
InChIInChI=1S/C23H20FN5O3.C23H20FN3O4.C22H22FN3O3.C18H15FN2O4/c1-31-20-8-4-14(11-17(20)24)3-6-18-21-19(29-28-18)7-5-16(22(21)32-2)23(30)27-13-15-12-25-9-10-26-15;1-29-20-10-6-14(12-17(20)24)5-8-18-21-19(27-26-18)9-7-16(22(21)30-2)23(28)25-13-15-4-3-11-31-15;1-28-19-10-6-13(11-16(19)23)5-8-17-20-18(26-25-17)9-7-15(21(20)29-2)22(27)24-12-14-3-4-14;1-24-15-8-4-10(9-12(15)19)3-6-13-16-14(21-20-13)7-5-11(18(22)23)17(16)25-2/h3-12H,13H2,1-2H3,(H,27,30)(H,28,29);3-12H,13H2,1-2H3,(H,25,28)(H,26,27);5-11,14H,3-4,12H2,1-2H3,(H,24,27)(H,25,26);3-9H,1-2H3,(H,20,21)(H,22,23)/b6-3+;2*8-5+;6-3+
InChIKeyBKLOPLFQVSSFNJ-VHFQPGPUSA-N
XLogP15.64
TPSA352.08 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds26
Heavy Atoms117
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001592.63
LogP ≤ 515.64
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze N-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide (CID 157377219) is N-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide is COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCC4CC4)c(OC)c23)cc1F.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4ccco4)c(OC)c23)cc1F.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4cnccn4)c(OC)c23)cc1F.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)O)c(OC)c23)cc1F.
What is the InChIKey of N-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide?
The InChIKey is BKLOPLFQVSSFNJ-VHFQPGPUSA-N. The full InChI is InChI=1S/C23H20FN5O3.C23H20FN3O4.C22H22FN3O3.C18H15FN2O4/c1-31-20-8-4-14(11-17(20)24)3-6-18-21-19(29-28-18)7-5-16(22(21)32-2)23(30)27-13-15-12-25-9-10-26-15;1-29-20-10-6-14(12-17(20)24)5-8-18-21-19(27-26-18)9-7-16(22(21)30-2)23(28)25-13-15-4-3-11-31-15;1-28-19-10-6-13(11-16(19)23)5-8-17-20-18(26-25-17)9-7-15(21(20)29-2)22(27)24-12-14-3-4-14;1-24-15-8-4-10(9-12(15)19)3-6-13-16-14(21-20-13)7-5-11(18(22)23)17(16)25-2/h3-12H,13H2,1-2H3,(H,27,30)(H,28,29);3-12H,13H2,1-2H3,(H,25,28)(H,26,27);5-11,14H,3-4,12H2,1-2H3,(H,24,27)(H,25,26);3-9H,1-2H3,(H,20,21)(H,22,23)/b6-3+;2*8-5+;6-3+.
What are the key properties of N-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide?
N-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide has a molecular weight of 1592.63 g/mol, XLogP of 15.64, 26 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 157377219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).