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

C24H22FN3O4 — CID 72628169

IUPAC3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(3-hydroxypropoxy)-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2[nH]nc(C=Cc3ccc(F)cc3)c2c1OCCCO
InChIInChI=1S/C24H22FN3O4/c25-17-7-4-16(5-8-17)6-10-20-22-21(28-27-20)11-9-19(23(22)32-14-2-12-29)24(30)26-15-18-3-1-13-31-18/h1,3-11,13,29H,2,12,14-15H2,(H,26,30)(H,27,28)
InChIKeyYVEIZBUSTKINES-UHFFFAOYSA-N
MW435.46 g/mol
LogP4.16
Rot. Bonds9

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

3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(3-hydroxypropoxy)-1H-indazole-5-carboxamide (PubChem CID 72628169) has the molecular formula C24H22FN3O4 and a molecular weight of 435.46 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(3-hydroxypropoxy)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(3-hydroxypropoxy)-1H-indazole-5-carboxamide
PubChem CID72628169
Molecular FormulaC24H22FN3O4
Molecular Weight435.46 g/mol
Exact Mass435.16
IUPAC Name3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(3-hydroxypropoxy)-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2[nH]nc(C=Cc3ccc(F)cc3)c2c1OCCCO
InChIInChI=1S/C24H22FN3O4/c25-17-7-4-16(5-8-17)6-10-20-22-21(28-27-20)11-9-19(23(22)32-14-2-12-29)24(30)26-15-18-3-1-13-31-18/h1,3-11,13,29H,2,12,14-15H2,(H,26,30)(H,27,28)
InChIKeyYVEIZBUSTKINES-UHFFFAOYSA-N
XLogP4.16
TPSA100.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630304
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-benzyl-6-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-indazole-5-carboxamide
CID 137630347
3-benzyl-6-hydroxy-N-(2-methoxyethyl)-N-methyl-1H-indazole-5-carboxamide
CID 137630352
(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-Benzo[d]furan-2-yl(1h-indazol-5-yl))-n-methylcarboxamide
CID 20789081
N-benzyl-6-methoxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630335

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(3-hydroxypropoxy)-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(3-hydroxypropoxy)-1H-indazole-5-carboxamide (CID 72628169) is 3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(3-hydroxypropoxy)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(3-hydroxypropoxy)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(3-hydroxypropoxy)-1H-indazole-5-carboxamide is O=C(NCc1ccco1)c1ccc2[nH]nc(C=Cc3ccc(F)cc3)c2c1OCCCO.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(3-hydroxypropoxy)-1H-indazole-5-carboxamide?
The InChIKey is YVEIZBUSTKINES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4/c25-17-7-4-16(5-8-17)6-10-20-22-21(28-27-20)11-9-19(23(22)32-14-2-12-29)24(30)26-15-18-3-1-13-31-18/h1,3-11,13,29H,2,12,14-15H2,(H,26,30)(H,27,28).
What are the key properties of 3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(3-hydroxypropoxy)-1H-indazole-5-carboxamide?
3-[2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(3-hydroxypropoxy)-1H-indazole-5-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 4.16, 9 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-(3-hydroxypropoxy)-1H-indazole-5-carboxamide is sourced from PubChem (CID 72628169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).