1-(4-cyanophenyl)-3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]urea

C21H14FN5O — CID 134298590

IUPAC1-(4-cyanophenyl)-3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]urea
SMILESN#Cc1ccc(NC(=O)Nc2c(-c3ccc(F)cc3)ccc3cncn23)cc1
InChIInChI=1S/C21H14FN5O/c22-16-5-3-15(4-6-16)19-10-9-18-12-24-13-27(18)20(19)26-21(28)25-17-7-1-14(11-23)2-8-17/h1-10,12-13H,(H2,25,26,28)
InChIKeyVFHSSKXLYIAXSU-UHFFFAOYSA-N
MW371.38 g/mol
LogP4.66
Rot. Bonds3

About 1-(4-cyanophenyl)-3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]urea

1-(4-cyanophenyl)-3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]urea (PubChem CID 134298590) has the molecular formula C21H14FN5O and a molecular weight of 371.38 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]urea
PubChem CID134298590
Molecular FormulaC21H14FN5O
Molecular Weight371.38 g/mol
Exact Mass371.12
IUPAC Name1-(4-cyanophenyl)-3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]urea
SMILESN#Cc1ccc(NC(=O)Nc2c(-c3ccc(F)cc3)ccc3cncn23)cc1
InChIInChI=1S/C21H14FN5O/c22-16-5-3-15(4-6-16)19-10-9-18-12-24-13-27(18)20(19)26-21(28)25-17-7-1-14(11-23)2-8-17/h1-10,12-13H,(H2,25,26,28)
InChIKeyVFHSSKXLYIAXSU-UHFFFAOYSA-N
XLogP4.66
TPSA82.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanophenyl)-3-imidazo[1,5-a]pyridin-5-ylurea;molecular hydrogen
CID 142291817
N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 174832757
N-(4-cyanophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110651346
5-(4-cyanoanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109199006
1-(4-cyanophenyl)-3-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)urea
CID 16662014
1-[(1S)-2-(4-cyanophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]-3-(4-fluorophenyl)urea
CID 135239009
N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
CID 9098665
N-(4-cyanophenyl)-3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide
CID 171984837
1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 175838324
2-(4-cyanoanilino)-N-[4-(4-fluorophenyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 134556469
1-(4-cyanophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214424
N-(4-cyanophenyl)-N'-(5-fluoro-2-pyridinyl)propanediamide
CID 138582553

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]urea?
The IUPAC name of 1-(4-cyanophenyl)-3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]urea (CID 134298590) is 1-(4-cyanophenyl)-3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]urea is N#Cc1ccc(NC(=O)Nc2c(-c3ccc(F)cc3)ccc3cncn23)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]urea?
The InChIKey is VFHSSKXLYIAXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5O/c22-16-5-3-15(4-6-16)19-10-9-18-12-24-13-27(18)20(19)26-21(28)25-17-7-1-14(11-23)2-8-17/h1-10,12-13H,(H2,25,26,28).
What are the key properties of 1-(4-cyanophenyl)-3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]urea?
1-(4-cyanophenyl)-3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]urea has a molecular weight of 371.38 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]urea is sourced from PubChem (CID 134298590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).