[5-[4-[(3-chlorophenyl)methyl]-6-fluoro-1H-indazol-3-yl]furan-2-yl]methanol

C19H14ClFN2O2 — CID 67553303

IUPAC[5-[4-[(3-chlorophenyl)methyl]-6-fluoro-1H-indazol-3-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2n[nH]c3cc(F)cc(Cc4cccc(Cl)c4)c23)o1
InChIInChI=1S/C19H14ClFN2O2/c20-13-3-1-2-11(7-13)6-12-8-14(21)9-16-18(12)19(23-22-16)17-5-4-15(10-24)25-17/h1-5,7-9,24H,6,10H2,(H,22,23)
InChIKeyGFVBDSJDBIOSLL-UHFFFAOYSA-N
MW356.78 g/mol
LogP4.70
Rot. Bonds4

About [5-[4-[(3-chlorophenyl)methyl]-6-fluoro-1H-indazol-3-yl]furan-2-yl]methanol

[5-[4-[(3-chlorophenyl)methyl]-6-fluoro-1H-indazol-3-yl]furan-2-yl]methanol (PubChem CID 67553303) has the molecular formula C19H14ClFN2O2 and a molecular weight of 356.78 g/mol. Its IUPAC name is [5-[4-[(3-chlorophenyl)methyl]-6-fluoro-1H-indazol-3-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-[(3-chlorophenyl)methyl]-6-fluoro-1H-indazol-3-yl]furan-2-yl]methanol
PubChem CID67553303
Molecular FormulaC19H14ClFN2O2
Molecular Weight356.78 g/mol
Exact Mass356.07
IUPAC Name[5-[4-[(3-chlorophenyl)methyl]-6-fluoro-1H-indazol-3-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2n[nH]c3cc(F)cc(Cc4cccc(Cl)c4)c23)o1
InChIInChI=1S/C19H14ClFN2O2/c20-13-3-1-2-11(7-13)6-12-8-14(21)9-16-18(12)19(23-22-16)17-5-4-15(10-24)25-17/h1-5,7-9,24H,6,10H2,(H,22,23)
InChIKeyGFVBDSJDBIOSLL-UHFFFAOYSA-N
XLogP4.70
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[4-[(3-chlorophenyl)methyl]-6-fluoro-1H-indazol-3-yl]furan-2-yl]methanol?
The IUPAC name of [5-[4-[(3-chlorophenyl)methyl]-6-fluoro-1H-indazol-3-yl]furan-2-yl]methanol (CID 67553303) is [5-[4-[(3-chlorophenyl)methyl]-6-fluoro-1H-indazol-3-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[4-[(3-chlorophenyl)methyl]-6-fluoro-1H-indazol-3-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[4-[(3-chlorophenyl)methyl]-6-fluoro-1H-indazol-3-yl]furan-2-yl]methanol is OCc1ccc(-c2n[nH]c3cc(F)cc(Cc4cccc(Cl)c4)c23)o1.
What is the InChIKey of [5-[4-[(3-chlorophenyl)methyl]-6-fluoro-1H-indazol-3-yl]furan-2-yl]methanol?
The InChIKey is GFVBDSJDBIOSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O2/c20-13-3-1-2-11(7-13)6-12-8-14(21)9-16-18(12)19(23-22-16)17-5-4-15(10-24)25-17/h1-5,7-9,24H,6,10H2,(H,22,23).
What are the key properties of [5-[4-[(3-chlorophenyl)methyl]-6-fluoro-1H-indazol-3-yl]furan-2-yl]methanol?
[5-[4-[(3-chlorophenyl)methyl]-6-fluoro-1H-indazol-3-yl]furan-2-yl]methanol has a molecular weight of 356.78 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[(3-chlorophenyl)methyl]-6-fluoro-1H-indazol-3-yl]furan-2-yl]methanol is sourced from PubChem (CID 67553303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).