1-(2-phenoxyphenyl)-3-[3-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]urea

C30H23N5O2 — CID 45270372

IUPAC1-(2-phenoxyphenyl)-3-[3-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]urea
SMILESO=C(Nc1cccc(-c2c[nH]c3ncc(-c4ccc[nH]4)cc23)c1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C30H23N5O2/c36-30(35-27-12-4-5-14-28(27)37-23-10-2-1-3-11-23)34-22-9-6-8-20(16-22)25-19-33-29-24(25)17-21(18-32-29)26-13-7-15-31-26/h1-19,31H,(H,32,33)(H2,34,35,36)
InChIKeyKRCWIMOFFZNJDN-UHFFFAOYSA-N
MW485.55 g/mol
LogP7.66
Rot. Bonds6

About 1-(2-phenoxyphenyl)-3-[3-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]urea

1-(2-phenoxyphenyl)-3-[3-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]urea (PubChem CID 45270372) has the molecular formula C30H23N5O2 and a molecular weight of 485.55 g/mol. Its IUPAC name is 1-(2-phenoxyphenyl)-3-[3-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-(2-phenoxyphenyl)-3-[3-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]urea
PubChem CID45270372
Molecular FormulaC30H23N5O2
Molecular Weight485.55 g/mol
Exact Mass485.19
IUPAC Name1-(2-phenoxyphenyl)-3-[3-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]urea
SMILESO=C(Nc1cccc(-c2c[nH]c3ncc(-c4ccc[nH]4)cc23)c1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C30H23N5O2/c36-30(35-27-12-4-5-14-28(27)37-23-10-2-1-3-11-23)34-22-9-6-8-20(16-22)25-19-33-29-24(25)17-21(18-32-29)26-13-7-15-31-26/h1-19,31H,(H,32,33)(H2,34,35,36)
InChIKeyKRCWIMOFFZNJDN-UHFFFAOYSA-N
XLogP7.66
TPSA94.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.55
LogP ≤ 57.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-(benzyloxy)phenyl)-3-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl)phenyl)urea
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3-{1-[2-(1H-Indol-4-yloxy)-ethyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1H-pyrrolo[2,3-b]pyridine
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1-(4-((1h-Pyrrolo[2,3-B]pyridin-4-Yl)oxy)phenyl)-3-(5-(4-Methylpiperazin-1-Yl)naphthalen-2-Yl)urea
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4-N-(4-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}phenyl)pyrimidine-2,4-diamine
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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyphenyl)-3-[3-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]urea?
The IUPAC name of 1-(2-phenoxyphenyl)-3-[3-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]urea (CID 45270372) is 1-(2-phenoxyphenyl)-3-[3-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]urea.
What is the SMILES notation for 1-(2-phenoxyphenyl)-3-[3-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]urea?
The canonical SMILES for 1-(2-phenoxyphenyl)-3-[3-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]urea is O=C(Nc1cccc(-c2c[nH]c3ncc(-c4ccc[nH]4)cc23)c1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-(2-phenoxyphenyl)-3-[3-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]urea?
The InChIKey is KRCWIMOFFZNJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N5O2/c36-30(35-27-12-4-5-14-28(27)37-23-10-2-1-3-11-23)34-22-9-6-8-20(16-22)25-19-33-29-24(25)17-21(18-32-29)26-13-7-15-31-26/h1-19,31H,(H,32,33)(H2,34,35,36).
What are the key properties of 1-(2-phenoxyphenyl)-3-[3-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]urea?
1-(2-phenoxyphenyl)-3-[3-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]urea has a molecular weight of 485.55 g/mol, XLogP of 7.66, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyphenyl)-3-[3-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]urea is sourced from PubChem (CID 45270372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).