1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-3-(2-pyrrol-1-ylethyl)urea

C18H24FN5O — CID 75377712

IUPAC1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-3-(2-pyrrol-1-ylethyl)urea
SMILESCN1CCN(c2ccc(F)cc2NC(=O)NCCn2cccc2)CC1
InChIInChI=1S/C18H24FN5O/c1-22-10-12-24(13-11-22)17-5-4-15(19)14-16(17)21-18(25)20-6-9-23-7-2-3-8-23/h2-5,7-8,14H,6,9-13H2,1H3,(H2,20,21,25)
InChIKeyUYFRPWFRKOAGMC-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.20
Rot. Bonds5

About 1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-3-(2-pyrrol-1-ylethyl)urea

1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-3-(2-pyrrol-1-ylethyl)urea (PubChem CID 75377712) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-3-(2-pyrrol-1-ylethyl)urea.

Molecular Properties

Compound Name1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-3-(2-pyrrol-1-ylethyl)urea
PubChem CID75377712
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-3-(2-pyrrol-1-ylethyl)urea
SMILESCN1CCN(c2ccc(F)cc2NC(=O)NCCn2cccc2)CC1
InChIInChI=1S/C18H24FN5O/c1-22-10-12-24(13-11-22)17-5-4-15(19)14-16(17)21-18(25)20-6-9-23-7-2-3-8-23/h2-5,7-8,14H,6,9-13H2,1H3,(H2,20,21,25)
InChIKeyUYFRPWFRKOAGMC-UHFFFAOYSA-N
XLogP2.20
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 168520629
2-ethoxy-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 56826679
3-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-1-(2-methoxyethyl)-1-methylurea
CID 56827083
1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111462816
1-(2-cyano-4-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)butyl]urea
CID 78896559
1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea
CID 47032101
2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide
CID 35355092
1-(2-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]urea
CID 38272106
3-fluoro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 1194264
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide
CID 18196017
1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea
CID 110894304
1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-phenylurea
CID 10171756

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-3-(2-pyrrol-1-ylethyl)urea?
The IUPAC name of 1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-3-(2-pyrrol-1-ylethyl)urea (CID 75377712) is 1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-3-(2-pyrrol-1-ylethyl)urea.
What is the SMILES notation for 1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-3-(2-pyrrol-1-ylethyl)urea?
The canonical SMILES for 1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-3-(2-pyrrol-1-ylethyl)urea is CN1CCN(c2ccc(F)cc2NC(=O)NCCn2cccc2)CC1.
What is the InChIKey of 1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-3-(2-pyrrol-1-ylethyl)urea?
The InChIKey is UYFRPWFRKOAGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-22-10-12-24(13-11-22)17-5-4-15(19)14-16(17)21-18(25)20-6-9-23-7-2-3-8-23/h2-5,7-8,14H,6,9-13H2,1H3,(H2,20,21,25).
What are the key properties of 1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-3-(2-pyrrol-1-ylethyl)urea?
1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-3-(2-pyrrol-1-ylethyl)urea has a molecular weight of 345.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-3-(2-pyrrol-1-ylethyl)urea is sourced from PubChem (CID 75377712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).