[1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-(4-methylpiperazin-1-yl)ethyl]urea

C20H26FN5O2 — CID 142715563

IUPAC[1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-(4-methylpiperazin-1-yl)ethyl]urea
SMILESCN1CCN(CC(NC(N)=O)c2ncccc2OCc2cccc(F)c2)CC1
InChIInChI=1S/C20H26FN5O2/c1-25-8-10-26(11-9-25)13-17(24-20(22)27)19-18(6-3-7-23-19)28-14-15-4-2-5-16(21)12-15/h2-7,12,17H,8-11,13-14H2,1H3,(H3,22,24,27)
InChIKeyMIBPPVOESZNTHQ-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.76
Rot. Bonds7

About [1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-(4-methylpiperazin-1-yl)ethyl]urea

[1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-(4-methylpiperazin-1-yl)ethyl]urea (PubChem CID 142715563) has the molecular formula C20H26FN5O2 and a molecular weight of 387.46 g/mol. Its IUPAC name is [1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-(4-methylpiperazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name[1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-(4-methylpiperazin-1-yl)ethyl]urea
PubChem CID142715563
Molecular FormulaC20H26FN5O2
Molecular Weight387.46 g/mol
Exact Mass387.21
IUPAC Name[1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-(4-methylpiperazin-1-yl)ethyl]urea
SMILESCN1CCN(CC(NC(N)=O)c2ncccc2OCc2cccc(F)c2)CC1
InChIInChI=1S/C20H26FN5O2/c1-25-8-10-26(11-9-25)13-17(24-20(22)27)19-18(6-3-7-23-19)28-14-15-4-2-5-16(21)12-15/h2-7,12,17H,8-11,13-14H2,1H3,(H3,22,24,27)
InChIKeyMIBPPVOESZNTHQ-UHFFFAOYSA-N
XLogP1.76
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 139793542
[1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-methylpropan-2-yl]thiourea
CID 142715593
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381
1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863705
1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404
[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl] 3-fluorobenzoate
CID 755779
ethyl 2-amino-3-[2-[(3-fluorophenyl)methoxy]phenyl]propanoate
CID 170885850
1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine
CID 114829218
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-4-amine
CID 156697670
2-[[(1S,2R)-2-[4-[(3-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 67449223
(2S)-N-carbamoyl-2-[3-fluoro-4-[(3-fluorophenyl)methoxy]anilino]propanamide
CID 95324364
2-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propanamide
CID 11302300

Frequently Asked Questions

What is the IUPAC name of [1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-(4-methylpiperazin-1-yl)ethyl]urea?
The IUPAC name of [1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-(4-methylpiperazin-1-yl)ethyl]urea (CID 142715563) is [1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-(4-methylpiperazin-1-yl)ethyl]urea.
What is the SMILES notation for [1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-(4-methylpiperazin-1-yl)ethyl]urea?
The canonical SMILES for [1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-(4-methylpiperazin-1-yl)ethyl]urea is CN1CCN(CC(NC(N)=O)c2ncccc2OCc2cccc(F)c2)CC1.
What is the InChIKey of [1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-(4-methylpiperazin-1-yl)ethyl]urea?
The InChIKey is MIBPPVOESZNTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2/c1-25-8-10-26(11-9-25)13-17(24-20(22)27)19-18(6-3-7-23-19)28-14-15-4-2-5-16(21)12-15/h2-7,12,17H,8-11,13-14H2,1H3,(H3,22,24,27).
What are the key properties of [1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-(4-methylpiperazin-1-yl)ethyl]urea?
[1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-(4-methylpiperazin-1-yl)ethyl]urea has a molecular weight of 387.46 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-(4-methylpiperazin-1-yl)ethyl]urea is sourced from PubChem (CID 142715563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).