1-(2-carbazol-9-yl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea

C25H17F3N4O2 — CID 11525482

IUPAC1-(2-carbazol-9-yl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C25H17F3N4O2/c26-25(27,28)34-17-13-11-16(12-14-17)30-24(33)31-20-8-5-15-29-23(20)32-21-9-3-1-6-18(21)19-7-2-4-10-22(19)32/h1-15H,(H2,30,31,33)
InChIKeyYWHDYWJSIMVZPX-UHFFFAOYSA-N
MW462.43 g/mol
LogP6.72
Rot. Bonds4

About 1-(2-carbazol-9-yl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea

1-(2-carbazol-9-yl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 11525482) has the molecular formula C25H17F3N4O2 and a molecular weight of 462.43 g/mol. Its IUPAC name is 1-(2-carbazol-9-yl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(2-carbazol-9-yl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID11525482
Molecular FormulaC25H17F3N4O2
Molecular Weight462.43 g/mol
Exact Mass462.13
IUPAC Name1-(2-carbazol-9-yl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C25H17F3N4O2/c26-25(27,28)34-17-13-11-16(12-14-17)30-24(33)31-20-8-5-15-29-23(20)32-21-9-3-1-6-18(21)19-7-2-4-10-22(19)32/h1-15H,(H2,30,31,33)
InChIKeyYWHDYWJSIMVZPX-UHFFFAOYSA-N
XLogP6.72
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.43
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-carbazol-9-yl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-(2-carbazol-9-yl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea (CID 11525482) is 1-(2-carbazol-9-yl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(2-carbazol-9-yl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(2-carbazol-9-yl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 1-(2-carbazol-9-yl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is YWHDYWJSIMVZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N4O2/c26-25(27,28)34-17-13-11-16(12-14-17)30-24(33)31-20-8-5-15-29-23(20)32-21-9-3-1-6-18(21)19-7-2-4-10-22(19)32/h1-15H,(H2,30,31,33).
What are the key properties of 1-(2-carbazol-9-yl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea?
1-(2-carbazol-9-yl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 462.43 g/mol, XLogP of 6.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbazol-9-yl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 11525482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).