1-[1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]ethenol

C20H20F2N2O3 — CID 143126134

IUPAC1-[1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]ethenol
SMILESC=C(O)c1cc2c(COCCOC)cn(Cc3ccc(F)cc3F)c2cn1
InChIInChI=1S/C20H20F2N2O3/c1-13(25)19-8-17-15(12-27-6-5-26-2)11-24(20(17)9-23-19)10-14-3-4-16(21)7-18(14)22/h3-4,7-9,11,25H,1,5-6,10,12H2,2H3
InChIKeyFMSKXDPGXSOXAG-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.05
Rot. Bonds8

About 1-[1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]ethenol

1-[1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]ethenol (PubChem CID 143126134) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is 1-[1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]ethenol.

Molecular Properties

Compound Name1-[1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]ethenol
PubChem CID143126134
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name1-[1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]ethenol
SMILESC=C(O)c1cc2c(COCCOC)cn(Cc3ccc(F)cc3F)c2cn1
InChIInChI=1S/C20H20F2N2O3/c1-13(25)19-8-17-15(12-27-6-5-26-2)11-24(20(17)9-23-19)10-14-3-4-16(21)7-18(14)22/h3-4,7-9,11,25H,1,5-6,10,12H2,2H3
InChIKeyFMSKXDPGXSOXAG-UHFFFAOYSA-N
XLogP4.05
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]ethenol?
The IUPAC name of 1-[1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]ethenol (CID 143126134) is 1-[1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]ethenol.
What is the SMILES notation for 1-[1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]ethenol?
The canonical SMILES for 1-[1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]ethenol is C=C(O)c1cc2c(COCCOC)cn(Cc3ccc(F)cc3F)c2cn1.
What is the InChIKey of 1-[1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]ethenol?
The InChIKey is FMSKXDPGXSOXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c1-13(25)19-8-17-15(12-27-6-5-26-2)11-24(20(17)9-23-19)10-14-3-4-16(21)7-18(14)22/h3-4,7-9,11,25H,1,5-6,10,12H2,2H3.
What are the key properties of 1-[1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]ethenol?
1-[1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]ethenol has a molecular weight of 374.39 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]ethenol is sourced from PubChem (CID 143126134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).