1-[4-[(4-chloro-2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea

C22H16ClF4N5O — CID 11605360

IUPAC1-[4-[(4-chloro-2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
SMILESCc1nc2ccnc(Cl)c2n1Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1
InChIInChI=1S/C22H16ClF4N5O/c1-12-29-17-8-9-28-20(23)19(17)32(12)11-13-2-5-15(6-3-13)30-21(33)31-18-10-14(22(25,26)27)4-7-16(18)24/h2-10H,11H2,1H3,(H2,30,31,33)
InChIKeyQRYYSIWUKBQIBT-UHFFFAOYSA-N
MW477.85 g/mol
LogP6.24
Rot. Bonds4

About 1-[4-[(4-chloro-2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea

1-[4-[(4-chloro-2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea (PubChem CID 11605360) has the molecular formula C22H16ClF4N5O and a molecular weight of 477.85 g/mol. Its IUPAC name is 1-[4-[(4-chloro-2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-[(4-chloro-2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
PubChem CID11605360
Molecular FormulaC22H16ClF4N5O
Molecular Weight477.85 g/mol
Exact Mass477.10
IUPAC Name1-[4-[(4-chloro-2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
SMILESCc1nc2ccnc(Cl)c2n1Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1
InChIInChI=1S/C22H16ClF4N5O/c1-12-29-17-8-9-28-20(23)19(17)32(12)11-13-2-5-15(6-3-13)30-21(33)31-18-10-14(22(25,26)27)4-7-16(18)24/h2-10H,11H2,1H3,(H2,30,31,33)
InChIKeyQRYYSIWUKBQIBT-UHFFFAOYSA-N
XLogP6.24
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.85
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[(2-methyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]urea
CID 11547086
1-[4-[(4-chloroimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 143211399
1-[4-[(4-chloro-2-cyclopropylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
CID 11634784
1-(3-chloro-4-methylphenyl)-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 17262540
ethyl 4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]benzoate
CID 1298541
5-amino-1-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2-methylimidazole-4-carboxamide
CID 11532179
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
CID 71260039
1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000610
1-[4-[(2-cyclopropyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 11511628
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]phenyl]urea
CID 162395682
1-[4-(4-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 163619460
N-[4-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrrol-2-yl]-2,2-dimethylpropanamide
CID 141148204

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chloro-2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-[(4-chloro-2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea (CID 11605360) is 1-[4-[(4-chloro-2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-[(4-chloro-2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-[(4-chloro-2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea is Cc1nc2ccnc(Cl)c2n1Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1.
What is the InChIKey of 1-[4-[(4-chloro-2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea?
The InChIKey is QRYYSIWUKBQIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF4N5O/c1-12-29-17-8-9-28-20(23)19(17)32(12)11-13-2-5-15(6-3-13)30-21(33)31-18-10-14(22(25,26)27)4-7-16(18)24/h2-10H,11H2,1H3,(H2,30,31,33).
What are the key properties of 1-[4-[(4-chloro-2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea?
1-[4-[(4-chloro-2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea has a molecular weight of 477.85 g/mol, XLogP of 6.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chloro-2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 11605360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).