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

C22H19F3N2O6 — CID 68705432

IUPAC3-hydroxy-3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one
SMILESCOCOc1cnc(OC)cc1C1(O)C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21
InChIInChI=1S/C22H19F3N2O6/c1-30-12-32-17-10-26-19(31-2)9-15(17)21(29)14-5-3-4-6-16(14)27(20(21)28)11-13-7-8-18(33-13)22(23,24)25/h3-10,29H,11-12H2,1-2H3
InChIKeyKIIHUDLGYIYSSH-UHFFFAOYSA-N
MW464.40 g/mol
LogP3.47
Rot. Bonds7

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

3-hydroxy-3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one (PubChem CID 68705432) has the molecular formula C22H19F3N2O6 and a molecular weight of 464.40 g/mol. Its IUPAC name is 3-hydroxy-3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one
PubChem CID68705432
Molecular FormulaC22H19F3N2O6
Molecular Weight464.40 g/mol
Exact Mass464.12
IUPAC Name3-hydroxy-3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one
SMILESCOCOc1cnc(OC)cc1C1(O)C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21
InChIInChI=1S/C22H19F3N2O6/c1-30-12-32-17-10-26-19(31-2)9-15(17)21(29)14-5-3-4-6-16(14)27(20(21)28)11-13-7-8-18(33-13)22(23,24)25/h3-10,29H,11-12H2,1-2H3
InChIKeyKIIHUDLGYIYSSH-UHFFFAOYSA-N
XLogP3.47
TPSA94.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-((6-(2-(5-Methyl-2-(4-(trifluoromethyl)phenyl)oxazol-4-yl)ethoxy)pyridin-3-yl)methyl)-tetrahydrofuran-2-carboxylic acid
CID 44419819
5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one
CID 25065529
3-(5-Hydroxy-2-methoxypyridin-4-yl)-3-(hydroxymethyl)-1-((5-(trifluoromethyl)furan-2-yl)methyl)indolin-2-one
CID 68706079
3-(5-hydroxy-2-methoxypyridin-4-yl)-1-{[5-(trifluoromethyl)furan-2-yl]methyl}-1,3-dihydro-2H-indol-2-one
CID 68706624
3-(6-hydroxy[1,3]dioxolo[4,5-b]pyridin-5-yl)-1-{[5-(trifluoromethyl)-2-furyl]methyl}-1,3-dihydro-2H-indol-2-one
CID 68707355
4-bromo-3-hydroxy-3-(3-hydroxy-6-methoxypyridin-2-yl)-1-{[5-(trifluoromethyl)-2-furyl]methyl}-1,3-dihydro-2H-indol-2-one
CID 68708064
3-(6-hydroxy[1,3]dioxolo[4,5-b]pyridin-5-yl)-3-(hydroxymethyl)-1-{[5-(trifluoromethyl)-2-furyl]methyl}-1,3-dihydro-2H-indol-2-one
CID 68708521
5-fluoro-3-(3-hydroxy-6-methoxypyridin-2-yl)-1-{[5-(trifluoromethyl)-2-furyl]methyl}-1,3-dihydro-2H-indol-2-one
CID 68708836
5-fluoro-3-hydroxy-3-(3-hydroxy-6-methoxypyridin-2-yl)-1-{[5-(trifluoromethyl)-2-furyl]methyl}-1,3-dihydro-2H-indol-2-one
CID 68709196
3-hydroxy-3-(6-hydroxy[1,3]dioxolo[4,5-b]pyridin-5-yl)-1-{[5-(trifluoromethyl)-2-furyl]methyl}-1,3-dihydro-2H-indol-2-one
CID 68710369
3-[2-methoxy-5-(methoxymethoxy)pyridin-4-yl]-1-{[5-(trifluoromethyl)furan-2-yl]methyl}-1,3-dihydro-2H-indol-2-one
CID 68710472
1-[[4-Chloro-5-(trifluoromethyl)furan-2-yl]methyl]-3-hydroxy-3-(3-hydroxy-6-methoxy-2-pyridinyl)indol-2-one
CID 68710755

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one?
The IUPAC name of 3-hydroxy-3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one (CID 68705432) is 3-hydroxy-3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one.
What is the SMILES notation for 3-hydroxy-3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one?
The canonical SMILES for 3-hydroxy-3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one is COCOc1cnc(OC)cc1C1(O)C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21.
What is the InChIKey of 3-hydroxy-3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one?
The InChIKey is KIIHUDLGYIYSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O6/c1-30-12-32-17-10-26-19(31-2)9-15(17)21(29)14-5-3-4-6-16(14)27(20(21)28)11-13-7-8-18(33-13)22(23,24)25/h3-10,29H,11-12H2,1-2H3.
What are the key properties of 3-hydroxy-3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one?
3-hydroxy-3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one has a molecular weight of 464.40 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one is sourced from PubChem (CID 68705432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).