1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea

C16H16N4O — CID 175807775

IUPAC1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea
SMILESCCNC(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C16H16N4O/c1-2-17-16(21)20-12-5-3-11(4-6-12)13-7-9-18-15-14(13)8-10-19-15/h3-10H,2H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyUEJZHGDVLYGXEO-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.37
Rot. Bonds3

About 1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea

1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea (PubChem CID 175807775) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea
PubChem CID175807775
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea
SMILESCCNC(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C16H16N4O/c1-2-17-16(21)20-12-5-3-11(4-6-12)13-7-9-18-15-14(13)8-10-19-15/h3-10H,2H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyUEJZHGDVLYGXEO-UHFFFAOYSA-N
XLogP3.37
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-butyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea
CID 175807595
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 11999608
N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 56893507
2-amino-3-hydroxy-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide
CID 175833948
(2S)-2-amino-3,3-dimethyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]butanamide
CID 165404879
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
1-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-pyridin-4-ylurea
CID 58980040
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
CID 69192349
2-(dimethylamino)-3-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide
CID 176840685
(2R)-2-(cyclopropylamino)-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide
CID 165404742
1-[4-[1-(1,2-dihydroxyethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-phenylurea
CID 58980009
2-amino-3-cyclopropyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide
CID 175833951

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea?
The IUPAC name of 1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea (CID 175807775) is 1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea?
The canonical SMILES for 1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea is CCNC(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea?
The InChIKey is UEJZHGDVLYGXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-17-16(21)20-12-5-3-11(4-6-12)13-7-9-18-15-14(13)8-10-19-15/h3-10H,2H2,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of 1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea?
1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea has a molecular weight of 280.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea is sourced from PubChem (CID 175807775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).