(6-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C19H20N2O5 — CID 52951493

IUPAC(6-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]c2n1
InChIInChI=1S/C19H20N2O5/c1-5-26-16-7-6-12-13(10-20-19(12)21-16)17(22)11-8-14(23-2)18(25-4)15(9-11)24-3/h6-10H,5H2,1-4H3,(H,20,21)
InChIKeyBHUWNXRTMJPFCN-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.22
Rot. Bonds7

About (6-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(6-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 52951493) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is (6-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID52951493
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name(6-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]c2n1
InChIInChI=1S/C19H20N2O5/c1-5-26-16-7-6-12-13(10-20-19(12)21-16)17(22)11-8-14(23-2)18(25-4)15(9-11)24-3/h6-10H,5H2,1-4H3,(H,20,21)
InChIKeyBHUWNXRTMJPFCN-UHFFFAOYSA-N
XLogP3.22
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 52951493) is (6-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone is CCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]c2n1.
What is the InChIKey of (6-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is BHUWNXRTMJPFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-5-26-16-7-6-12-13(10-20-19(12)21-16)17(22)11-8-14(23-2)18(25-4)15(9-11)24-3/h6-10H,5H2,1-4H3,(H,20,21).
What are the key properties of (6-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(6-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 356.38 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 52951493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).