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

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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).