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

C24H24N4O2 — CID 167829740

IUPAC1-[2-hydroxy-1-(4-phenylphenyl)ethyl]-3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
SMILESO=C(NCCc1c[nH]c2ncccc12)NC(CO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24N4O2/c29-16-22(19-10-8-18(9-11-19)17-5-2-1-3-6-17)28-24(30)26-14-12-20-15-27-23-21(20)7-4-13-25-23/h1-11,13,15,22,29H,12,14,16H2,(H,25,27)(H2,26,28,30)
InChIKeyZLHJRLAGRYIMHR-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.81
Rot. Bonds7

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

1-[2-hydroxy-1-(4-phenylphenyl)ethyl]-3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]urea (PubChem CID 167829740) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[2-hydroxy-1-(4-phenylphenyl)ethyl]-3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-1-(4-phenylphenyl)ethyl]-3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
PubChem CID167829740
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-[2-hydroxy-1-(4-phenylphenyl)ethyl]-3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
SMILESO=C(NCCc1c[nH]c2ncccc12)NC(CO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24N4O2/c29-16-22(19-10-8-18(9-11-19)17-5-2-1-3-6-17)28-24(30)26-14-12-20-15-27-23-21(20)7-4-13-25-23/h1-11,13,15,22,29H,12,14,16H2,(H,25,27)(H2,26,28,30)
InChIKeyZLHJRLAGRYIMHR-UHFFFAOYSA-N
XLogP3.81
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-1-(4-phenylphenyl)ethyl]-3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]urea?
The IUPAC name of 1-[2-hydroxy-1-(4-phenylphenyl)ethyl]-3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]urea (CID 167829740) is 1-[2-hydroxy-1-(4-phenylphenyl)ethyl]-3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]urea.
What is the SMILES notation for 1-[2-hydroxy-1-(4-phenylphenyl)ethyl]-3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]urea?
The canonical SMILES for 1-[2-hydroxy-1-(4-phenylphenyl)ethyl]-3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]urea is O=C(NCCc1c[nH]c2ncccc12)NC(CO)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[2-hydroxy-1-(4-phenylphenyl)ethyl]-3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]urea?
The InChIKey is ZLHJRLAGRYIMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-16-22(19-10-8-18(9-11-19)17-5-2-1-3-6-17)28-24(30)26-14-12-20-15-27-23-21(20)7-4-13-25-23/h1-11,13,15,22,29H,12,14,16H2,(H,25,27)(H2,26,28,30).
What are the key properties of 1-[2-hydroxy-1-(4-phenylphenyl)ethyl]-3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]urea?
1-[2-hydroxy-1-(4-phenylphenyl)ethyl]-3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]urea has a molecular weight of 400.48 g/mol, XLogP of 3.81, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-1-(4-phenylphenyl)ethyl]-3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]urea is sourced from PubChem (CID 167829740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).