4-chloro-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one

C20H14ClF3N2O4 — CID 68709163

IUPAC4-chloro-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one
SMILESCOc1ccc(O)c(C2C(=O)N(Cc3ccc(C(F)(F)F)o3)c3cccc(Cl)c32)n1
InChIInChI=1S/C20H14ClF3N2O4/c1-29-15-8-6-13(27)18(25-15)17-16-11(21)3-2-4-12(16)26(19(17)28)9-10-5-7-14(30-10)20(22,23)24/h2-8,17,27H,9H2,1H3
InChIKeyGJRKVDIMNKZFBN-UHFFFAOYSA-N
MW438.79 g/mol
LogP4.74
Rot. Bonds4

About 4-chloro-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one

4-chloro-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one (PubChem CID 68709163) has the molecular formula C20H14ClF3N2O4 and a molecular weight of 438.79 g/mol. Its IUPAC name is 4-chloro-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one.

Molecular Properties

Compound Name4-chloro-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one
PubChem CID68709163
Molecular FormulaC20H14ClF3N2O4
Molecular Weight438.79 g/mol
Exact Mass438.06
IUPAC Name4-chloro-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one
SMILESCOc1ccc(O)c(C2C(=O)N(Cc3ccc(C(F)(F)F)o3)c3cccc(Cl)c32)n1
InChIInChI=1S/C20H14ClF3N2O4/c1-29-15-8-6-13(27)18(25-15)17-16-11(21)3-2-4-12(16)26(19(17)28)9-10-5-7-14(30-10)20(22,23)24/h2-8,17,27H,9H2,1H3
InChIKeyGJRKVDIMNKZFBN-UHFFFAOYSA-N
XLogP4.74
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.79
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
The IUPAC name of 4-chloro-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one (CID 68709163) is 4-chloro-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one.
What is the SMILES notation for 4-chloro-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
The canonical SMILES for 4-chloro-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one is COc1ccc(O)c(C2C(=O)N(Cc3ccc(C(F)(F)F)o3)c3cccc(Cl)c32)n1.
What is the InChIKey of 4-chloro-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
The InChIKey is GJRKVDIMNKZFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O4/c1-29-15-8-6-13(27)18(25-15)17-16-11(21)3-2-4-12(16)26(19(17)28)9-10-5-7-14(30-10)20(22,23)24/h2-8,17,27H,9H2,1H3.
What are the key properties of 4-chloro-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
4-chloro-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one has a molecular weight of 438.79 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-hydroxy-6-methoxy-2-pyridinyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one is sourced from PubChem (CID 68709163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).