1-(3-fluorophenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea;hydrochloride

C20H17ClFN7O — CID 154828685

IUPAC1-(3-fluorophenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea;hydrochloride
SMILESCl.O=C(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)Nc1cccc(F)c1
InChIInChI=1S/C20H16FN7O.ClH/c21-14-2-1-3-17(10-14)27-20(29)26-16-6-4-15(5-7-16)25-18-11-19(24-12-23-18)28-9-8-22-13-28;/h1-13H,(H,23,24,25)(H2,26,27,29);1H
InChIKeyUKXRHSHXZHFFTA-UHFFFAOYSA-N
MW425.86 g/mol
LogP4.61
Rot. Bonds5

About 1-(3-fluorophenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea;hydrochloride

1-(3-fluorophenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea;hydrochloride (PubChem CID 154828685) has the molecular formula C20H17ClFN7O and a molecular weight of 425.86 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea;hydrochloride.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea;hydrochloride
PubChem CID154828685
Molecular FormulaC20H17ClFN7O
Molecular Weight425.86 g/mol
Exact Mass425.12
IUPAC Name1-(3-fluorophenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea;hydrochloride
SMILESCl.O=C(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)Nc1cccc(F)c1
InChIInChI=1S/C20H16FN7O.ClH/c21-14-2-1-3-17(10-14)27-20(29)26-16-6-4-15(5-7-16)25-18-11-19(24-12-23-18)28-9-8-22-13-28;/h1-13H,(H,23,24,25)(H2,26,27,29);1H
InChIKeyUKXRHSHXZHFFTA-UHFFFAOYSA-N
XLogP4.61
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.86
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(3-fluorophenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(3-methoxyphenyl)urea
CID 121074248
4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121073828
1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(2-methylphenyl)urea
CID 70702504
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide
CID 122291297
1-(3-fluorophenyl)-3-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]urea
CID 122316253
N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520304
2-cyclopentyl-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122291339
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122291399
1-(3-ethylphenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea
CID 56920804
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-4-nitrobenzamide
CID 121073858
1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea
CID 90545095
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122291300

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea;hydrochloride?
The IUPAC name of 1-(3-fluorophenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea;hydrochloride (CID 154828685) is 1-(3-fluorophenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea;hydrochloride.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea;hydrochloride?
The canonical SMILES for 1-(3-fluorophenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea;hydrochloride is Cl.O=C(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea;hydrochloride?
The InChIKey is UKXRHSHXZHFFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7O.ClH/c21-14-2-1-3-17(10-14)27-20(29)26-16-6-4-15(5-7-16)25-18-11-19(24-12-23-18)28-9-8-22-13-28;/h1-13H,(H,23,24,25)(H2,26,27,29);1H.
What are the key properties of 1-(3-fluorophenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea;hydrochloride?
1-(3-fluorophenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea;hydrochloride has a molecular weight of 425.86 g/mol, XLogP of 4.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea;hydrochloride is sourced from PubChem (CID 154828685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).