1-pyridin-4-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea

C18H13F3N4O2 — CID 127025158

IUPAC1-pyridin-4-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccncc1)Nc1cc(-c2cccnc2)ccc1OC(F)(F)F
InChIInChI=1S/C18H13F3N4O2/c19-18(20,21)27-16-4-3-12(13-2-1-7-23-11-13)10-15(16)25-17(26)24-14-5-8-22-9-6-14/h1-11H,(H2,22,24,25,26)
InChIKeyPXFKZTVTPPCRCO-UHFFFAOYSA-N
MW374.32 g/mol
LogP4.69
Rot. Bonds4

About 1-pyridin-4-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea

1-pyridin-4-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea (PubChem CID 127025158) has the molecular formula C18H13F3N4O2 and a molecular weight of 374.32 g/mol. Its IUPAC name is 1-pyridin-4-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-pyridin-4-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea
PubChem CID127025158
Molecular FormulaC18H13F3N4O2
Molecular Weight374.32 g/mol
Exact Mass374.10
IUPAC Name1-pyridin-4-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccncc1)Nc1cc(-c2cccnc2)ccc1OC(F)(F)F
InChIInChI=1S/C18H13F3N4O2/c19-18(20,21)27-16-4-3-12(13-2-1-7-23-11-13)10-15(16)25-17(26)24-14-5-8-22-9-6-14/h1-11H,(H2,22,24,25,26)
InChIKeyPXFKZTVTPPCRCO-UHFFFAOYSA-N
XLogP4.69
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyridin-3-yl-4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperidine-1-carboxamide
CID 145977816
4-(2-Methoxy-5-methylanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10133128
1-Isoquinolin-5-yl-3-(4-trifluoromethoxy-benzyl)-urea
CID 10451213
4-(2-Methoxy-5-methylanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 22732426
1-[4-Bromo-2-(trifluoromethoxy)phenyl]-3-(4-pyridin-3-ylphenyl)urea
CID 122180043
1-(2-Methoxyphenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea
CID 3912902
1-Isoquinolin-5-yl-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]urea
CID 10452082
1-[4-Methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-4-ylphenyl)urea
CID 44533225
1-[4-Methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea
CID 44533345
1-[5-Bromo-2-(trifluoromethoxy)phenyl]-3-(4-pyridin-3-ylphenyl)urea
CID 122180045
1-[3-(6-Methoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-ylurea
CID 127025156
1-Pyridin-2-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea
CID 127027297

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-pyridin-4-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea (CID 127025158) is 1-pyridin-4-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-pyridin-4-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-pyridin-4-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccncc1)Nc1cc(-c2cccnc2)ccc1OC(F)(F)F.
What is the InChIKey of 1-pyridin-4-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea?
The InChIKey is PXFKZTVTPPCRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2/c19-18(20,21)27-16-4-3-12(13-2-1-7-23-11-13)10-15(16)25-17(26)24-14-5-8-22-9-6-14/h1-11H,(H2,22,24,25,26).
What are the key properties of 1-pyridin-4-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea?
1-pyridin-4-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea has a molecular weight of 374.32 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 127025158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).