1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(3-fluoro-4-methylphenyl)urea

C29H24FN5O2 — CID 58396441

IUPAC1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(3-fluoro-4-methylphenyl)urea
SMILESCCc1nccc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccc(C)c(F)c3)c3ccccc23)n1
InChIInChI=1S/C29H24FN5O2/c1-3-27-31-16-14-25(34-27)22-9-6-15-32-28(22)37-26-13-12-24(20-7-4-5-8-21(20)26)35-29(36)33-19-11-10-18(2)23(30)17-19/h4-17H,3H2,1-2H3,(H2,33,35,36)
InChIKeyKILJJXZYAUDBJR-UHFFFAOYSA-N
MW493.54 g/mol
LogP7.14
Rot. Bonds6

About 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(3-fluoro-4-methylphenyl)urea

1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(3-fluoro-4-methylphenyl)urea (PubChem CID 58396441) has the molecular formula C29H24FN5O2 and a molecular weight of 493.54 g/mol. Its IUPAC name is 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(3-fluoro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(3-fluoro-4-methylphenyl)urea
PubChem CID58396441
Molecular FormulaC29H24FN5O2
Molecular Weight493.54 g/mol
Exact Mass493.19
IUPAC Name1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(3-fluoro-4-methylphenyl)urea
SMILESCCc1nccc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccc(C)c(F)c3)c3ccccc23)n1
InChIInChI=1S/C29H24FN5O2/c1-3-27-31-16-14-25(34-27)22-9-6-15-32-28(22)37-26-13-12-24(20-7-4-5-8-21(20)26)35-29(36)33-19-11-10-18(2)23(30)17-19/h4-17H,3H2,1-2H3,(H2,33,35,36)
InChIKeyKILJJXZYAUDBJR-UHFFFAOYSA-N
XLogP7.14
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.54
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(3-fluoro-4-methylphenyl)urea with MolForge

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Related Compounds

1-[4-[7-(Dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)pyridin-3-yl]methyl]urea
CID 155195529
1-[4-(2-Azanylpyrimidin-4-Yl)oxyphenyl]-3-[4-[(4-Methylpiperazin-1-Yl)methyl]-3-(Trifluoromethyl)phenyl]urea
CID 11260561
N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 16731782
1-[3-Methyl-4-({3-[2-(Methylamino)pyrimidin-4-Yl]pyridin-2-Yl}oxy)phenyl]-3-[3-(Trifluoromethyl)phenyl]urea
CID 25113168
N-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine
CID 24983495
1-[4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(4-quinolin-6-yloxyphenyl)urea
CID 134294499
1-[4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(4-quinazolin-6-yloxyphenyl)urea
CID 134294508
N-[3-(1,1-Dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[4-[[2-(phenylamino)-4-pyrimidinyl]oxy]-1-naphthalenyl]urea
CID 71547929
6-[(4-Methoxy-naphthalen-1-ylamino)-methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 462574
4-(6-Methoxy-7-methyl-quinazolin-4-yl)-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
CID 11155618
N-(2,6-difluorophenyl)-4-(4-(6-methoxyquinazolin-4-ylamino)-2-methylphenoxy)piperidine-1-carboxamide
CID 11272368
4-Benzo[g]quinazolin-4-yl-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
CID 11465678

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(3-fluoro-4-methylphenyl)urea?
The IUPAC name of 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(3-fluoro-4-methylphenyl)urea (CID 58396441) is 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(3-fluoro-4-methylphenyl)urea.
What is the SMILES notation for 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(3-fluoro-4-methylphenyl)urea?
The canonical SMILES for 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(3-fluoro-4-methylphenyl)urea is CCc1nccc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccc(C)c(F)c3)c3ccccc23)n1.
What is the InChIKey of 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(3-fluoro-4-methylphenyl)urea?
The InChIKey is KILJJXZYAUDBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN5O2/c1-3-27-31-16-14-25(34-27)22-9-6-15-32-28(22)37-26-13-12-24(20-7-4-5-8-21(20)26)35-29(36)33-19-11-10-18(2)23(30)17-19/h4-17H,3H2,1-2H3,(H2,33,35,36).
What are the key properties of 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(3-fluoro-4-methylphenyl)urea?
1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(3-fluoro-4-methylphenyl)urea has a molecular weight of 493.54 g/mol, XLogP of 7.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(3-fluoro-4-methylphenyl)urea is sourced from PubChem (CID 58396441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).