2-(diethoxymethyl)-7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridine

C24H30N2O4 — CID 118089957

IUPAC2-(diethoxymethyl)-7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridine
SMILESCCOC(OCC)c1cc2cncc(-c3cc(CN4CCCC4)ccc3OC)c2o1
InChIInChI=1S/C24H30N2O4/c1-4-28-24(29-5-2)22-13-18-14-25-15-20(23(18)30-22)19-12-17(8-9-21(19)27-3)16-26-10-6-7-11-26/h8-9,12-15,24H,4-7,10-11,16H2,1-3H3
InChIKeyHIGVQFRBBYGLDG-UHFFFAOYSA-N
MW410.51 g/mol
LogP5.17
Rot. Bonds9

About 2-(diethoxymethyl)-7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridine

2-(diethoxymethyl)-7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridine (PubChem CID 118089957) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-(diethoxymethyl)-7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridine.

Molecular Properties

Compound Name2-(diethoxymethyl)-7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridine
PubChem CID118089957
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name2-(diethoxymethyl)-7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridine
SMILESCCOC(OCC)c1cc2cncc(-c3cc(CN4CCCC4)ccc3OC)c2o1
InChIInChI=1S/C24H30N2O4/c1-4-28-24(29-5-2)22-13-18-14-25-15-20(23(18)30-22)19-12-17(8-9-21(19)27-3)16-26-10-6-7-11-26/h8-9,12-15,24H,4-7,10-11,16H2,1-3H3
InChIKeyHIGVQFRBBYGLDG-UHFFFAOYSA-N
XLogP5.17
TPSA56.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 55.17
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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Related Compounds

(5Z)-5-[[7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089797
6-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]-N,N-dimethylpyrazin-2-amine
CID 56708628
2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol
CID 82979671
1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 163391622
3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine
CID 56722412
[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 46785371
2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile
CID 65343965
4-[(4-fluoro-3-methoxyphenyl)methyl]morpholine
CID 71190630
5-(azetidin-1-ylmethyl)-2-methoxybenzaldehyde
CID 153327457
1-[(4-methoxy-3-methylphenyl)methyl]-1,4-diazepane
CID 55039426
2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline
CID 174283606
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387

Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)-7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridine?
The IUPAC name of 2-(diethoxymethyl)-7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridine (CID 118089957) is 2-(diethoxymethyl)-7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridine.
What is the SMILES notation for 2-(diethoxymethyl)-7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridine?
The canonical SMILES for 2-(diethoxymethyl)-7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridine is CCOC(OCC)c1cc2cncc(-c3cc(CN4CCCC4)ccc3OC)c2o1.
What is the InChIKey of 2-(diethoxymethyl)-7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridine?
The InChIKey is HIGVQFRBBYGLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-4-28-24(29-5-2)22-13-18-14-25-15-20(23(18)30-22)19-12-17(8-9-21(19)27-3)16-26-10-6-7-11-26/h8-9,12-15,24H,4-7,10-11,16H2,1-3H3.
What are the key properties of 2-(diethoxymethyl)-7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridine?
2-(diethoxymethyl)-7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridine has a molecular weight of 410.51 g/mol, XLogP of 5.17, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)-7-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]furo[3,2-c]pyridine is sourced from PubChem (CID 118089957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).