2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C19H28N4O2 — CID 53144513

IUPAC2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCOCCn1cc(CC(=O)N2CCN(C(C)C)CC2)c2cccnc21
InChIInChI=1S/C19H28N4O2/c1-15(2)21-7-9-22(10-8-21)18(24)13-16-14-23(11-12-25-3)19-17(16)5-4-6-20-19/h4-6,14-15H,7-13H2,1-3H3
InChIKeyRKOCMUSGTNKLKA-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.78
Rot. Bonds6

About 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 53144513) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID53144513
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCOCCn1cc(CC(=O)N2CCN(C(C)C)CC2)c2cccnc21
InChIInChI=1S/C19H28N4O2/c1-15(2)21-7-9-22(10-8-21)18(24)13-16-14-23(11-12-25-3)19-17(16)5-4-6-20-19/h4-6,14-15H,7-13H2,1-3H3
InChIKeyRKOCMUSGTNKLKA-UHFFFAOYSA-N
XLogP1.78
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 53144513) is 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is COCCn1cc(CC(=O)N2CCN(C(C)C)CC2)c2cccnc21.
What is the InChIKey of 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is RKOCMUSGTNKLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15(2)21-7-9-22(10-8-21)18(24)13-16-14-23(11-12-25-3)19-17(16)5-4-6-20-19/h4-6,14-15H,7-13H2,1-3H3.
What are the key properties of 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 344.46 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 53144513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).