[4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanamine

C23H22N2O4 — CID 66778947

IUPAC[4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanamine
SMILESCOc1cc(-c2cc3nccc(-c4ccc(CN)cc4)c3o2)cc(OC)c1OC
InChIInChI=1S/C23H22N2O4/c1-26-20-10-16(11-21(27-2)23(20)28-3)19-12-18-22(29-19)17(8-9-25-18)15-6-4-14(13-24)5-7-15/h4-12H,13,24H2,1-3H3
InChIKeyREDSAIXHMMAXQR-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.65
Rot. Bonds6

About [4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanamine

[4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanamine (PubChem CID 66778947) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is [4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanamine
PubChem CID66778947
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name[4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanamine
SMILESCOc1cc(-c2cc3nccc(-c4ccc(CN)cc4)c3o2)cc(OC)c1OC
InChIInChI=1S/C23H22N2O4/c1-26-20-10-16(11-21(27-2)23(20)28-3)19-12-18-22(29-19)17(8-9-25-18)15-6-4-14(13-24)5-7-15/h4-12H,13,24H2,1-3H3
InChIKeyREDSAIXHMMAXQR-UHFFFAOYSA-N
XLogP4.65
TPSA79.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanamine?
The IUPAC name of [4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanamine (CID 66778947) is [4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanamine.
What is the SMILES notation for [4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanamine?
The canonical SMILES for [4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanamine is COc1cc(-c2cc3nccc(-c4ccc(CN)cc4)c3o2)cc(OC)c1OC.
What is the InChIKey of [4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanamine?
The InChIKey is REDSAIXHMMAXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-26-20-10-16(11-21(27-2)23(20)28-3)19-12-18-22(29-19)17(8-9-25-18)15-6-4-14(13-24)5-7-15/h4-12H,13,24H2,1-3H3.
What are the key properties of [4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanamine?
[4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanamine has a molecular weight of 390.44 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanamine is sourced from PubChem (CID 66778947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).