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

C26H18N6O — CID 57391832

IUPAC1-[4-(4-cyanophenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea
SMILESN#Cc1ccc(-c2ccc(NC(=O)Nc3ccc(-c4ccnc5nc[nH]c45)cc3)cc2)cc1
InChIInChI=1S/C26H18N6O/c27-15-17-1-3-18(4-2-17)19-5-9-21(10-6-19)31-26(33)32-22-11-7-20(8-12-22)23-13-14-28-25-24(23)29-16-30-25/h1-14,16H,(H,28,29,30)(H2,31,32,33)
InChIKeyFEDMEJWMCJAMHE-UHFFFAOYSA-N
MW430.47 g/mol
LogP5.81
Rot. Bonds4

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

1-[4-(4-cyanophenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea (PubChem CID 57391832) has the molecular formula C26H18N6O and a molecular weight of 430.47 g/mol. Its IUPAC name is 1-[4-(4-cyanophenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(4-cyanophenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea
PubChem CID57391832
Molecular FormulaC26H18N6O
Molecular Weight430.47 g/mol
Exact Mass430.15
IUPAC Name1-[4-(4-cyanophenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea
SMILESN#Cc1ccc(-c2ccc(NC(=O)Nc3ccc(-c4ccnc5nc[nH]c45)cc3)cc2)cc1
InChIInChI=1S/C26H18N6O/c27-15-17-1-3-18(4-2-17)19-5-9-21(10-6-19)31-26(33)32-22-11-7-20(8-12-22)23-13-14-28-25-24(23)29-16-30-25/h1-14,16H,(H,28,29,30)(H2,31,32,33)
InChIKeyFEDMEJWMCJAMHE-UHFFFAOYSA-N
XLogP5.81
TPSA106.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

Glasdegib
CID 25166913
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
Miransertib
CID 53262401
BN-81,644
CID 9802572
Urmc-099
CID 54764565
2-cyclohexyl-5,7-di(phenyl)-1H-imidazo[4,5-b]pyridine
CID 16109435
3-(4-(Piperidin-1-ylmethyl)phenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
CID 44545757
3-ethyl-1-[5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365956
Imidazopyridine 12b
CID 5329348
Imidazopyridine 12c
CID 5329349
7-Benzyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538796
1-ethyl-3-[7-(2-pyridyl)-5-(3-pyridyl)-1H-benzimidazol-2-yl]urea
CID 11428309

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyanophenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea?
The IUPAC name of 1-[4-(4-cyanophenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea (CID 57391832) is 1-[4-(4-cyanophenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea.
What is the SMILES notation for 1-[4-(4-cyanophenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea?
The canonical SMILES for 1-[4-(4-cyanophenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea is N#Cc1ccc(-c2ccc(NC(=O)Nc3ccc(-c4ccnc5nc[nH]c45)cc3)cc2)cc1.
What is the InChIKey of 1-[4-(4-cyanophenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea?
The InChIKey is FEDMEJWMCJAMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N6O/c27-15-17-1-3-18(4-2-17)19-5-9-21(10-6-19)31-26(33)32-22-11-7-20(8-12-22)23-13-14-28-25-24(23)29-16-30-25/h1-14,16H,(H,28,29,30)(H2,31,32,33).
What are the key properties of 1-[4-(4-cyanophenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea?
1-[4-(4-cyanophenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea has a molecular weight of 430.47 g/mol, XLogP of 5.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyanophenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea is sourced from PubChem (CID 57391832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).