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

C22H19F3N2O5 — CID 68710472

IUPAC3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one
SMILESCOCOc1cnc(OC)cc1C1C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21
InChIInChI=1S/C22H19F3N2O5/c1-29-12-31-17-10-26-19(30-2)9-15(17)20-14-5-3-4-6-16(14)27(21(20)28)11-13-7-8-18(32-13)22(23,24)25/h3-10,20H,11-12H2,1-2H3
InChIKeyPVCSSYXTYKBRSQ-UHFFFAOYSA-N
MW448.40 g/mol
LogP4.36
Rot. Bonds7

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

3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one (PubChem CID 68710472) has the molecular formula C22H19F3N2O5 and a molecular weight of 448.40 g/mol. Its IUPAC name is 3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one.

Molecular Properties

Compound Name3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one
PubChem CID68710472
Molecular FormulaC22H19F3N2O5
Molecular Weight448.40 g/mol
Exact Mass448.12
IUPAC Name3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one
SMILESCOCOc1cnc(OC)cc1C1C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21
InChIInChI=1S/C22H19F3N2O5/c1-29-12-31-17-10-26-19(30-2)9-15(17)20-14-5-3-4-6-16(14)27(21(20)28)11-13-7-8-18(32-13)22(23,24)25/h3-10,20H,11-12H2,1-2H3
InChIKeyPVCSSYXTYKBRSQ-UHFFFAOYSA-N
XLogP4.36
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.40
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
The IUPAC name of 3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one (CID 68710472) is 3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one.
What is the SMILES notation for 3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
The canonical SMILES for 3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one is COCOc1cnc(OC)cc1C1C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21.
What is the InChIKey of 3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
The InChIKey is PVCSSYXTYKBRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O5/c1-29-12-31-17-10-26-19(30-2)9-15(17)20-14-5-3-4-6-16(14)27(21(20)28)11-13-7-8-18(32-13)22(23,24)25/h3-10,20H,11-12H2,1-2H3.
What are the key properties of 3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one has a molecular weight of 448.40 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-(methoxymethoxy)-4-pyridinyl]-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one is sourced from PubChem (CID 68710472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).