1-[3-fluoro-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-3-pyridin-3-ylurea

C17H16FN5O2 — CID 11551861

IUPAC1-[3-fluoro-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-3-pyridin-3-ylurea
SMILESCn1ccn(Cc2cc(F)cc(NC(=O)Nc3cccnc3)c2)c1=O
InChIInChI=1S/C17H16FN5O2/c1-22-5-6-23(17(22)25)11-12-7-13(18)9-15(8-12)21-16(24)20-14-3-2-4-19-10-14/h2-10H,11H2,1H3,(H2,20,21,24)
InChIKeyZOLXEEHXERVFNR-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.41
Rot. Bonds4

About 1-[3-fluoro-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-3-pyridin-3-ylurea

1-[3-fluoro-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-3-pyridin-3-ylurea (PubChem CID 11551861) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 1-[3-fluoro-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[3-fluoro-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-3-pyridin-3-ylurea
PubChem CID11551861
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name1-[3-fluoro-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-3-pyridin-3-ylurea
SMILESCn1ccn(Cc2cc(F)cc(NC(=O)Nc3cccnc3)c2)c1=O
InChIInChI=1S/C17H16FN5O2/c1-22-5-6-23(17(22)25)11-12-7-13(18)9-15(8-12)21-16(24)20-14-3-2-4-19-10-14/h2-10H,11H2,1H3,(H2,20,21,24)
InChIKeyZOLXEEHXERVFNR-UHFFFAOYSA-N
XLogP2.41
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[2-(4-acetylpiperazin-1-yl)ethyl]-5-fluorophenyl]-3-pyridin-3-ylurea
CID 66677011
1-[3-[[ethylsulfonyl(methyl)amino]methyl]-5-fluorophenyl]-3-pyridin-3-ylurea
CID 91571266
4-[3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenyl]propyl]piperazine-1-carboxylic acid
CID 68542803
1-[3-fluoro-5-(pyrrol-1-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 142687518
1-[3-[2-(ethylsulfonylmethylamino)ethoxy]-5-fluorophenyl]-3-pyridin-3-ylurea
CID 67036695
1-[3-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 11660722
1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126026
1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
CID 24535904
N-[3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenoxy]propoxy]acetamide
CID 91489253
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-pyridin-3-ylurea
CID 108873340
1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyridin-3-ylurea
CID 66548508
1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 11667339

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[3-fluoro-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-3-pyridin-3-ylurea (CID 11551861) is 1-[3-fluoro-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[3-fluoro-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[3-fluoro-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-3-pyridin-3-ylurea is Cn1ccn(Cc2cc(F)cc(NC(=O)Nc3cccnc3)c2)c1=O.
What is the InChIKey of 1-[3-fluoro-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-3-pyridin-3-ylurea?
The InChIKey is ZOLXEEHXERVFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-22-5-6-23(17(22)25)11-12-7-13(18)9-15(8-12)21-16(24)20-14-3-2-4-19-10-14/h2-10H,11H2,1H3,(H2,20,21,24).
What are the key properties of 1-[3-fluoro-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-3-pyridin-3-ylurea?
1-[3-fluoro-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-3-pyridin-3-ylurea has a molecular weight of 341.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 11551861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).