6-(4-phenoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-2-one;hydrochloride

C17H13ClN4O2 — CID 166135739

IUPAC6-(4-phenoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-2-one;hydrochloride
SMILESCl.O=c1nccc(-c2c[nH]c3nccc(Oc4ccccc4)c23)[nH]1
InChIInChI=1S/C17H12N4O2.ClH/c22-17-19-8-6-13(21-17)12-10-20-16-15(12)14(7-9-18-16)23-11-4-2-1-3-5-11;/h1-10H,(H,18,20)(H,19,21,22);1H
InChIKeyIFNHUSBNAYXENW-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.53
Rot. Bonds3

About 6-(4-phenoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-2-one;hydrochloride

6-(4-phenoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-2-one;hydrochloride (PubChem CID 166135739) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is 6-(4-phenoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name6-(4-phenoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-2-one;hydrochloride
PubChem CID166135739
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC Name6-(4-phenoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-2-one;hydrochloride
SMILESCl.O=c1nccc(-c2c[nH]c3nccc(Oc4ccccc4)c23)[nH]1
InChIInChI=1S/C17H12N4O2.ClH/c22-17-19-8-6-13(21-17)12-10-20-16-15(12)14(7-9-18-16)23-11-4-2-1-3-5-11;/h1-10H,(H,18,20)(H,19,21,22);1H
InChIKeyIFNHUSBNAYXENW-UHFFFAOYSA-N
XLogP3.53
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(4-phenoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-2-one;hydrochloride 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 6-(4-phenoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-2-one;hydrochloride?
The IUPAC name of 6-(4-phenoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-2-one;hydrochloride (CID 166135739) is 6-(4-phenoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-2-one;hydrochloride.
What is the SMILES notation for 6-(4-phenoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-2-one;hydrochloride?
The canonical SMILES for 6-(4-phenoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-2-one;hydrochloride is Cl.O=c1nccc(-c2c[nH]c3nccc(Oc4ccccc4)c23)[nH]1.
What is the InChIKey of 6-(4-phenoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-2-one;hydrochloride?
The InChIKey is IFNHUSBNAYXENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2.ClH/c22-17-19-8-6-13(21-17)12-10-20-16-15(12)14(7-9-18-16)23-11-4-2-1-3-5-11;/h1-10H,(H,18,20)(H,19,21,22);1H.
What are the key properties of 6-(4-phenoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-2-one;hydrochloride?
6-(4-phenoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-2-one;hydrochloride has a molecular weight of 340.77 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-2-one;hydrochloride is sourced from PubChem (CID 166135739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).