5-[(3,5-difluorophenyl)methyl]-3-(furan-3-yl)-1H-indazole

C18H12F2N2O — CID 177381921

IUPAC5-[(3,5-difluorophenyl)methyl]-3-(furan-3-yl)-1H-indazole
SMILESFc1cc(F)cc(Cc2ccc3[nH]nc(-c4ccoc4)c3c2)c1
InChIInChI=1S/C18H12F2N2O/c19-14-6-12(7-15(20)9-14)5-11-1-2-17-16(8-11)18(22-21-17)13-3-4-23-10-13/h1-4,6-10H,5H2,(H,21,22)
InChIKeyXEIKXPFGCOVPNV-UHFFFAOYSA-N
MW310.30 g/mol
LogP4.69
Rot. Bonds3

About 5-[(3,5-difluorophenyl)methyl]-3-(furan-3-yl)-1H-indazole

5-[(3,5-difluorophenyl)methyl]-3-(furan-3-yl)-1H-indazole (PubChem CID 177381921) has the molecular formula C18H12F2N2O and a molecular weight of 310.30 g/mol. Its IUPAC name is 5-[(3,5-difluorophenyl)methyl]-3-(furan-3-yl)-1H-indazole.

Molecular Properties

Compound Name5-[(3,5-difluorophenyl)methyl]-3-(furan-3-yl)-1H-indazole
PubChem CID177381921
Molecular FormulaC18H12F2N2O
Molecular Weight310.30 g/mol
Exact Mass310.09
IUPAC Name5-[(3,5-difluorophenyl)methyl]-3-(furan-3-yl)-1H-indazole
SMILESFc1cc(F)cc(Cc2ccc3[nH]nc(-c4ccoc4)c3c2)c1
InChIInChI=1S/C18H12F2N2O/c19-14-6-12(7-15(20)9-14)5-11-1-2-17-16(8-11)18(22-21-17)13-3-4-23-10-13/h1-4,6-10H,5H2,(H,21,22)
InChIKeyXEIKXPFGCOVPNV-UHFFFAOYSA-N
XLogP4.69
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-ethoxy-1H-indazol-3-yl)benzamide
CID 71682140
US11427558, Example 6
CID 155481735
US11427558, Example 7
CID 155482441
US11427558, Example 3
CID 155482449
US11427558, Example 173
CID 155482472
4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide
CID 155482537
3-(1-benzofuran-2-yl)-1H-indazole-5-carboxamide
CID 22479843
3-(2,3-Dihydrobenzo[B]Furan-5-Yl)-1H-Indazole-5-Carboxamide
CID 22479895
ethyl 3-(4-fluorophenyl)-1H-indazole-5-carboxylate
CID 22479944
3-(4-Methoxyphenyl)-1H-Indazole-5-Carboxamide
CID 22479950
3-(furan-3-yl)-1H-indazole-5-carboxamide
CID 22479981
2-(5-(2H-1,2,3,4-tetrazol-5-yl)-1H-indazole-3-yl)furan
CID 22480144

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenyl)methyl]-3-(furan-3-yl)-1H-indazole?
The IUPAC name of 5-[(3,5-difluorophenyl)methyl]-3-(furan-3-yl)-1H-indazole (CID 177381921) is 5-[(3,5-difluorophenyl)methyl]-3-(furan-3-yl)-1H-indazole.
What is the SMILES notation for 5-[(3,5-difluorophenyl)methyl]-3-(furan-3-yl)-1H-indazole?
The canonical SMILES for 5-[(3,5-difluorophenyl)methyl]-3-(furan-3-yl)-1H-indazole is Fc1cc(F)cc(Cc2ccc3[nH]nc(-c4ccoc4)c3c2)c1.
What is the InChIKey of 5-[(3,5-difluorophenyl)methyl]-3-(furan-3-yl)-1H-indazole?
The InChIKey is XEIKXPFGCOVPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O/c19-14-6-12(7-15(20)9-14)5-11-1-2-17-16(8-11)18(22-21-17)13-3-4-23-10-13/h1-4,6-10H,5H2,(H,21,22).
What are the key properties of 5-[(3,5-difluorophenyl)methyl]-3-(furan-3-yl)-1H-indazole?
5-[(3,5-difluorophenyl)methyl]-3-(furan-3-yl)-1H-indazole has a molecular weight of 310.30 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenyl)methyl]-3-(furan-3-yl)-1H-indazole is sourced from PubChem (CID 177381921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).