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

C21H16FN3O3 — CID 135987981

IUPAC3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2c1O
InChIInChI=1S/C21H16FN3O3/c22-14-6-3-13(4-7-14)5-9-17-19-18(25-24-17)10-8-16(20(19)26)21(27)23-12-15-2-1-11-28-15/h1-11,26H,12H2,(H,23,27)(H,24,25)/b9-5+
InChIKeySLMDAPBZXOXCRC-WEVVVXLNSA-N
MW377.38 g/mol
LogP4.10
Rot. Bonds5

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

3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-1H-indazole-5-carboxamide (PubChem CID 135987981) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-1H-indazole-5-carboxamide
PubChem CID135987981
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2c1O
InChIInChI=1S/C21H16FN3O3/c22-14-6-3-13(4-7-14)5-9-17-19-18(25-24-17)10-8-16(20(19)26)21(27)23-12-15-2-1-11-28-15/h1-11,26H,12H2,(H,23,27)(H,24,25)/b9-5+
InChIKeySLMDAPBZXOXCRC-WEVVVXLNSA-N
XLogP4.10
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630303
6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630304
N-[(3-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630306
3-benzyl-N-[(4-ethoxyphenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630325
3-benzyl-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indazole-5-carboxamide
CID 137630344
3-benzyl-N-[(3-fluorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630348
3-benzyl-N-[(2-fluorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630356
6-hydroxy-N-(3-methoxyphenyl)-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 145966299
6-hydroxy-N-(4-methoxyphenyl)-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 145967307
6-hydroxy-3-[(3-methoxyphenyl)methyl]-N-methyl-N-(4-morpholin-4-ylphenyl)-1H-indazole-5-carboxamide
CID 145970991
3-benzyl-N-(furan-2-yl)-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630354
N-[4-[2-(dimethylamino)ethoxymethyl]phenyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 145972812

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-1H-indazole-5-carboxamide (CID 135987981) is 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-1H-indazole-5-carboxamide is O=C(NCc1ccco1)c1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2c1O.
What is the InChIKey of 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-1H-indazole-5-carboxamide?
The InChIKey is SLMDAPBZXOXCRC-WEVVVXLNSA-N. The full InChI is InChI=1S/C21H16FN3O3/c22-14-6-3-13(4-7-14)5-9-17-19-18(25-24-17)10-8-16(20(19)26)21(27)23-12-15-2-1-11-28-15/h1-11,26H,12H2,(H,23,27)(H,24,25)/b9-5+.
What are the key properties of 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-1H-indazole-5-carboxamide?
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-1H-indazole-5-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 135987981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).