1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea

C19H22N4O2 — CID 90556407

IUPAC1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea
SMILESCCOc1ccc(NC(=O)NCCCn2ccc3cccnc32)cc1
InChIInChI=1S/C19H22N4O2/c1-2-25-17-8-6-16(7-9-17)22-19(24)21-12-4-13-23-14-10-15-5-3-11-20-18(15)23/h3,5-11,14H,2,4,12-13H2,1H3,(H2,21,22,24)
InChIKeyRWGQOIIAKCPVPA-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.65
Rot. Bonds7

About 1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea

1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea (PubChem CID 90556407) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea
PubChem CID90556407
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea
SMILESCCOc1ccc(NC(=O)NCCCn2ccc3cccnc32)cc1
InChIInChI=1S/C19H22N4O2/c1-2-25-17-8-6-16(7-9-17)22-19(24)21-12-4-13-23-14-10-15-5-3-11-20-18(15)23/h3,5-11,14H,2,4,12-13H2,1H3,(H2,21,22,24)
InChIKeyRWGQOIIAKCPVPA-UHFFFAOYSA-N
XLogP3.65
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 90556420
N-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropylsulfamoyl)phenyl]acetamide
CID 90556439
1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021931
1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976064
3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556279
3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556292
1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
CID 47049542
2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide
CID 90556327
1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea
CID 3669043
1-(4-ethoxyphenyl)-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea
CID 91629241
1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
CID 51085276
1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883788

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea (CID 90556407) is 1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea is CCOc1ccc(NC(=O)NCCCn2ccc3cccnc32)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea?
The InChIKey is RWGQOIIAKCPVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-25-17-8-6-16(7-9-17)22-19(24)21-12-4-13-23-14-10-15-5-3-11-20-18(15)23/h3,5-11,14H,2,4,12-13H2,1H3,(H2,21,22,24).
What are the key properties of 1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea?
1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea has a molecular weight of 338.41 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea is sourced from PubChem (CID 90556407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).