3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-1H-indazole-5-carboxamide

C23H20FN3O4 — CID 72564596

IUPAC3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2[nH]nc(C=Cc3ccc(F)cc3)c2c1OCCO
InChIInChI=1S/C23H20FN3O4/c24-16-6-3-15(4-7-16)5-9-19-21-20(27-26-19)10-8-18(22(21)31-13-11-28)23(29)25-14-17-2-1-12-30-17/h1-10,12,28H,11,13-14H2,(H,25,29)(H,26,27)
InChIKeyKRWZKERMUNXIPS-UHFFFAOYSA-N
MW421.43 g/mol
LogP3.77
Rot. Bonds8

About 3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-1H-indazole-5-carboxamide

3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-1H-indazole-5-carboxamide (PubChem CID 72564596) has the molecular formula C23H20FN3O4 and a molecular weight of 421.43 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-1H-indazole-5-carboxamide
PubChem CID72564596
Molecular FormulaC23H20FN3O4
Molecular Weight421.43 g/mol
Exact Mass421.14
IUPAC Name3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2[nH]nc(C=Cc3ccc(F)cc3)c2c1OCCO
InChIInChI=1S/C23H20FN3O4/c24-16-6-3-15(4-7-16)5-9-19-21-20(27-26-19)10-8-18(22(21)31-13-11-28)23(29)25-14-17-2-1-12-30-17/h1-10,12,28H,11,13-14H2,(H,25,29)(H,26,27)
InChIKeyKRWZKERMUNXIPS-UHFFFAOYSA-N
XLogP3.77
TPSA100.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-N-[(4-ethoxyphenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630325
3-benzyl-N-(furan-2-yl)-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630354
(3-Benzo[d]furan-2-yl(1h-indazol-5-yl))-n-[2-(dimethylamino)ethyl]carboxamide
CID 20789075
3-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1H-indazole-5-carboxamide
CID 20789076
(3-Benzo[d]furan-2-yl(1h-indazol-5-yl))-n-[3-(dimethylamino)propyl]carboxamide
CID 20789077
(3-Benzo[d]furan-2-yl(1h-indazol-5-yl))-n (2methylpropyl)carboxamide
CID 20789079
(3-Benzo[d]furan-2-yl(1h-indazol-5-yl))-n-(methylethyl)carboxamide
CID 20789080
3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 22260712
3-(3-fluorophenyl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide
CID 23589678
3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide
CID 23589679
3-(3-fluorophenyl)-7-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide
CID 23589692
3-(3-fluorophenyl)-7-methyl-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide
CID 23589696

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-1H-indazole-5-carboxamide (CID 72564596) is 3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-1H-indazole-5-carboxamide is O=C(NCc1ccco1)c1ccc2[nH]nc(C=Cc3ccc(F)cc3)c2c1OCCO.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-1H-indazole-5-carboxamide?
The InChIKey is KRWZKERMUNXIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4/c24-16-6-3-15(4-7-16)5-9-19-21-20(27-26-19)10-8-18(22(21)31-13-11-28)23(29)25-14-17-2-1-12-30-17/h1-10,12,28H,11,13-14H2,(H,25,29)(H,26,27).
What are the key properties of 3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-1H-indazole-5-carboxamide?
3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-1H-indazole-5-carboxamide has a molecular weight of 421.43 g/mol, XLogP of 3.77, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-1H-indazole-5-carboxamide is sourced from PubChem (CID 72564596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).