[3-amino-5-bromo-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone

C17H15BrN2O3 — CID 6501395

IUPAC[3-amino-5-bromo-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone
SMILESCOCc1c(Br)c(C)nc2oc(C(=O)c3ccccc3)c(N)c12
InChIInChI=1S/C17H15BrN2O3/c1-9-13(18)11(8-22-2)12-14(19)16(23-17(12)20-9)15(21)10-6-4-3-5-7-10/h3-7H,8,19H2,1-2H3
InChIKeyWUQFIYOVISUVAE-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.86
Rot. Bonds4

About [3-amino-5-bromo-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone

[3-amino-5-bromo-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone (PubChem CID 6501395) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is [3-amino-5-bromo-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-amino-5-bromo-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone
PubChem CID6501395
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name[3-amino-5-bromo-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone
SMILESCOCc1c(Br)c(C)nc2oc(C(=O)c3ccccc3)c(N)c12
InChIInChI=1S/C17H15BrN2O3/c1-9-13(18)11(8-22-2)12-14(19)16(23-17(12)20-9)15(21)10-6-4-3-5-7-10/h3-7H,8,19H2,1-2H3
InChIKeyWUQFIYOVISUVAE-UHFFFAOYSA-N
XLogP3.86
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-bromo-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone?
The IUPAC name of [3-amino-5-bromo-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone (CID 6501395) is [3-amino-5-bromo-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone.
What is the SMILES notation for [3-amino-5-bromo-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone?
The canonical SMILES for [3-amino-5-bromo-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone is COCc1c(Br)c(C)nc2oc(C(=O)c3ccccc3)c(N)c12.
What is the InChIKey of [3-amino-5-bromo-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone?
The InChIKey is WUQFIYOVISUVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-9-13(18)11(8-22-2)12-14(19)16(23-17(12)20-9)15(21)10-6-4-3-5-7-10/h3-7H,8,19H2,1-2H3.
What are the key properties of [3-amino-5-bromo-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone?
[3-amino-5-bromo-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone has a molecular weight of 375.22 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-bromo-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl]-phenylmethanone is sourced from PubChem (CID 6501395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).