1-cycloheptyl-1-[(4-pyridin-2-ylphenyl)methyl]-3-(2,4,6-trifluorophenyl)urea

C26H26F3N3O — CID 10623553

IUPAC1-cycloheptyl-1-[(4-pyridin-2-ylphenyl)methyl]-3-(2,4,6-trifluorophenyl)urea
SMILESO=C(Nc1c(F)cc(F)cc1F)N(Cc1ccc(-c2ccccn2)cc1)C1CCCCCC1
InChIInChI=1S/C26H26F3N3O/c27-20-15-22(28)25(23(29)16-20)31-26(33)32(21-7-3-1-2-4-8-21)17-18-10-12-19(13-11-18)24-9-5-6-14-30-24/h5-6,9-16,21H,1-4,7-8,17H2,(H,31,33)
InChIKeyQTQCNOHJUKNLRV-UHFFFAOYSA-N
MW453.51 g/mol
LogP6.92
Rot. Bonds5

About 1-cycloheptyl-1-[(4-pyridin-2-ylphenyl)methyl]-3-(2,4,6-trifluorophenyl)urea

1-cycloheptyl-1-[(4-pyridin-2-ylphenyl)methyl]-3-(2,4,6-trifluorophenyl)urea (PubChem CID 10623553) has the molecular formula C26H26F3N3O and a molecular weight of 453.51 g/mol. Its IUPAC name is 1-cycloheptyl-1-[(4-pyridin-2-ylphenyl)methyl]-3-(2,4,6-trifluorophenyl)urea.

Molecular Properties

Compound Name1-cycloheptyl-1-[(4-pyridin-2-ylphenyl)methyl]-3-(2,4,6-trifluorophenyl)urea
PubChem CID10623553
Molecular FormulaC26H26F3N3O
Molecular Weight453.51 g/mol
Exact Mass453.20
IUPAC Name1-cycloheptyl-1-[(4-pyridin-2-ylphenyl)methyl]-3-(2,4,6-trifluorophenyl)urea
SMILESO=C(Nc1c(F)cc(F)cc1F)N(Cc1ccc(-c2ccccn2)cc1)C1CCCCCC1
InChIInChI=1S/C26H26F3N3O/c27-20-15-22(28)25(23(29)16-20)31-26(33)32(21-7-3-1-2-4-8-21)17-18-10-12-19(13-11-18)24-9-5-6-14-30-24/h5-6,9-16,21H,1-4,7-8,17H2,(H,31,33)
InChIKeyQTQCNOHJUKNLRV-UHFFFAOYSA-N
XLogP6.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.51
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

PF-750
CID 25154868
Urea, N-5-isoquinolinyl-N'-[2-[4-(trifluoromethyl)phenyl]ethyl]-
CID 9998550
SB-410220
CID 10065953
1-Isoquinolin-5-yl-3-{1-[4-(trifluoromethyl)phenyl]ethyl}urea
CID 10473617
3-{1-[3-Fluoro-4-(trifluoromethyl)phenyl]ethyl}-1-isoquinolin-5-ylurea
CID 22032592
3-{1-[3-Fluoro-4-(trifluoromethyl)phenyl]propyl}-1-isoquinolin-5-ylurea
CID 22032643
((R)-8-(4-(trifluoromethyl)phenyl)-N-((S)-1,1,1-trifluoropropan-2-yl)-5,6-dihydro-1,7-naphthyridine-
CID 90655362
1-[3,5-Bis(trifluoromethyl)phenyl]-3-(4-pyridin-3-ylphenyl)urea
CID 122180050
1-(Pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 971723
3-Isoquinolin-5-yl-1-{phenyl[4-(trifluoromethyl)phenyl]methyl}urea
CID 24768197
3-methyl-3-phenyl-N-(4-(pyridin-2-yl)benzyl)piperidine-1-carboxamide
CID 46883510
N-tert-butyl-4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxamide
CID 56672789

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1-[(4-pyridin-2-ylphenyl)methyl]-3-(2,4,6-trifluorophenyl)urea?
The IUPAC name of 1-cycloheptyl-1-[(4-pyridin-2-ylphenyl)methyl]-3-(2,4,6-trifluorophenyl)urea (CID 10623553) is 1-cycloheptyl-1-[(4-pyridin-2-ylphenyl)methyl]-3-(2,4,6-trifluorophenyl)urea.
What is the SMILES notation for 1-cycloheptyl-1-[(4-pyridin-2-ylphenyl)methyl]-3-(2,4,6-trifluorophenyl)urea?
The canonical SMILES for 1-cycloheptyl-1-[(4-pyridin-2-ylphenyl)methyl]-3-(2,4,6-trifluorophenyl)urea is O=C(Nc1c(F)cc(F)cc1F)N(Cc1ccc(-c2ccccn2)cc1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-1-[(4-pyridin-2-ylphenyl)methyl]-3-(2,4,6-trifluorophenyl)urea?
The InChIKey is QTQCNOHJUKNLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O/c27-20-15-22(28)25(23(29)16-20)31-26(33)32(21-7-3-1-2-4-8-21)17-18-10-12-19(13-11-18)24-9-5-6-14-30-24/h5-6,9-16,21H,1-4,7-8,17H2,(H,31,33).
What are the key properties of 1-cycloheptyl-1-[(4-pyridin-2-ylphenyl)methyl]-3-(2,4,6-trifluorophenyl)urea?
1-cycloheptyl-1-[(4-pyridin-2-ylphenyl)methyl]-3-(2,4,6-trifluorophenyl)urea has a molecular weight of 453.51 g/mol, XLogP of 6.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1-[(4-pyridin-2-ylphenyl)methyl]-3-(2,4,6-trifluorophenyl)urea is sourced from PubChem (CID 10623553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).