1-(5-fluoro-2-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)urea

C17H20FN5O2 — CID 69452892

IUPAC1-(5-fluoro-2-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)urea
SMILESCOc1ccc(F)cc1NC(=O)Nc1ccc(N2CCNCC2)nc1
InChIInChI=1S/C17H20FN5O2/c1-25-15-4-2-12(18)10-14(15)22-17(24)21-13-3-5-16(20-11-13)23-8-6-19-7-9-23/h2-5,10-11,19H,6-9H2,1H3,(H2,21,22,24)
InChIKeySHYXYCVKSBJWAA-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.28
Rot. Bonds4

About 1-(5-fluoro-2-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)urea

1-(5-fluoro-2-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)urea (PubChem CID 69452892) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)urea
PubChem CID69452892
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)urea
SMILESCOc1ccc(F)cc1NC(=O)Nc1ccc(N2CCNCC2)nc1
InChIInChI=1S/C17H20FN5O2/c1-25-15-4-2-12(18)10-14(15)22-17(24)21-13-3-5-16(20-11-13)23-8-6-19-7-9-23/h2-5,10-11,19H,6-9H2,1H3,(H2,21,22,24)
InChIKeySHYXYCVKSBJWAA-UHFFFAOYSA-N
XLogP2.28
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)urea (CID 69452892) is 1-(5-fluoro-2-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)urea is COc1ccc(F)cc1NC(=O)Nc1ccc(N2CCNCC2)nc1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)urea?
The InChIKey is SHYXYCVKSBJWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-25-15-4-2-12(18)10-14(15)22-17(24)21-13-3-5-16(20-11-13)23-8-6-19-7-9-23/h2-5,10-11,19H,6-9H2,1H3,(H2,21,22,24).
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)urea?
1-(5-fluoro-2-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)urea has a molecular weight of 345.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 69452892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).