1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea

C18H16FN5O2 — CID 22046495

IUPAC1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea
SMILESCc1cnc(NC(=O)Nc2ccc(F)cc2OCc2cccnc2)cn1
InChIInChI=1S/C18H16FN5O2/c1-12-8-22-17(10-21-12)24-18(25)23-15-5-4-14(19)7-16(15)26-11-13-3-2-6-20-9-13/h2-10H,11H2,1H3,(H2,22,23,24,25)
InChIKeyUTNHGTNYOMGKLO-UHFFFAOYSA-N
MW353.36 g/mol
LogP3.54
Rot. Bonds5

About 1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea

1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea (PubChem CID 22046495) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea.

Molecular Properties

Compound Name1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea
PubChem CID22046495
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea
SMILESCc1cnc(NC(=O)Nc2ccc(F)cc2OCc2cccnc2)cn1
InChIInChI=1S/C18H16FN5O2/c1-12-8-22-17(10-21-12)24-18(25)23-15-5-4-14(19)7-16(15)26-11-13-3-2-6-20-9-13/h2-10H,11H2,1H3,(H2,22,23,24,25)
InChIKeyUTNHGTNYOMGKLO-UHFFFAOYSA-N
XLogP3.54
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea?
The IUPAC name of 1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea (CID 22046495) is 1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea.
What is the SMILES notation for 1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea?
The canonical SMILES for 1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea is Cc1cnc(NC(=O)Nc2ccc(F)cc2OCc2cccnc2)cn1.
What is the InChIKey of 1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea?
The InChIKey is UTNHGTNYOMGKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-12-8-22-17(10-21-12)24-18(25)23-15-5-4-14(19)7-16(15)26-11-13-3-2-6-20-9-13/h2-10H,11H2,1H3,(H2,22,23,24,25).
What are the key properties of 1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea?
1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea has a molecular weight of 353.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea is sourced from PubChem (CID 22046495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).