1-[4-(4-hydroxyphenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea

C25H19N5O2 — CID 57393565

IUPAC1-[4-(4-hydroxyphenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2ccc(O)cc2)cc1)Nc1ccc(-c2ccnc3nc[nH]c23)cc1
InChIInChI=1S/C25H19N5O2/c31-21-11-5-17(6-12-21)16-1-7-19(8-2-16)29-25(32)30-20-9-3-18(4-10-20)22-13-14-26-24-23(22)27-15-28-24/h1-15,31H,(H,26,27,28)(H2,29,30,32)
InChIKeyCRKUAQPSVMLAMQ-UHFFFAOYSA-N
MW421.46 g/mol
LogP5.64
Rot. Bonds4

About 1-[4-(4-hydroxyphenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea

1-[4-(4-hydroxyphenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea (PubChem CID 57393565) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is 1-[4-(4-hydroxyphenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(4-hydroxyphenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea
PubChem CID57393565
Molecular FormulaC25H19N5O2
Molecular Weight421.46 g/mol
Exact Mass421.15
IUPAC Name1-[4-(4-hydroxyphenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2ccc(O)cc2)cc1)Nc1ccc(-c2ccnc3nc[nH]c23)cc1
InChIInChI=1S/C25H19N5O2/c31-21-11-5-17(6-12-21)16-1-7-19(8-2-16)29-25(32)30-20-9-3-18(4-10-20)22-13-14-26-24-23(22)27-15-28-24/h1-15,31H,(H,26,27,28)(H2,29,30,32)
InChIKeyCRKUAQPSVMLAMQ-UHFFFAOYSA-N
XLogP5.64
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 55.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-hydroxyphenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea with MolForge

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Related Compounds

Sb-202190
CID 5169
Pki-166
CID 6918403
Atropisomer 1
CID 44605611
RP107
CID 448912
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CID 44546231
4-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 135433406
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 28
CID 135434952
({3-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl}methyl)urea
CID 135528873
2-Amino-3-(4-hydroxy-phenyl)-1-[3-(4-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-propan-1-one
CID 9932852
2,6-difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 145986466
4-{2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl}phenol
CID 15897928
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 31
CID 6538791

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxyphenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea?
The IUPAC name of 1-[4-(4-hydroxyphenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea (CID 57393565) is 1-[4-(4-hydroxyphenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea.
What is the SMILES notation for 1-[4-(4-hydroxyphenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea?
The canonical SMILES for 1-[4-(4-hydroxyphenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea is O=C(Nc1ccc(-c2ccc(O)cc2)cc1)Nc1ccc(-c2ccnc3nc[nH]c23)cc1.
What is the InChIKey of 1-[4-(4-hydroxyphenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea?
The InChIKey is CRKUAQPSVMLAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2/c31-21-11-5-17(6-12-21)16-1-7-19(8-2-16)29-25(32)30-20-9-3-18(4-10-20)22-13-14-26-24-23(22)27-15-28-24/h1-15,31H,(H,26,27,28)(H2,29,30,32).
What are the key properties of 1-[4-(4-hydroxyphenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea?
1-[4-(4-hydroxyphenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea has a molecular weight of 421.46 g/mol, XLogP of 5.64, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxyphenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea is sourced from PubChem (CID 57393565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).