1-(4-fluorophenyl)-5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-morpholin-4-ylpyrazin-2-one

C26H28F2N4O2 — CID 146252069

IUPAC1-(4-fluorophenyl)-5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-morpholin-4-ylpyrazin-2-one
SMILESO=c1c(N2CCOCC2)nc(CCCN[C@@H]2C[C@H]2c2ccc(F)cc2)cn1-c1ccc(F)cc1
InChIInChI=1S/C26H28F2N4O2/c27-19-5-3-18(4-6-19)23-16-24(23)29-11-1-2-21-17-32(22-9-7-20(28)8-10-22)26(33)25(30-21)31-12-14-34-15-13-31/h3-10,17,23-24,29H,1-2,11-16H2/t23-,24+/m0/s1
InChIKeyPBWRCMIMVUDFEM-BJKOFHAPSA-N
MW466.53 g/mol
LogP3.43
Rot. Bonds8

About 1-(4-fluorophenyl)-5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-morpholin-4-ylpyrazin-2-one

1-(4-fluorophenyl)-5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-morpholin-4-ylpyrazin-2-one (PubChem CID 146252069) has the molecular formula C26H28F2N4O2 and a molecular weight of 466.53 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-morpholin-4-ylpyrazin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-morpholin-4-ylpyrazin-2-one
PubChem CID146252069
Molecular FormulaC26H28F2N4O2
Molecular Weight466.53 g/mol
Exact Mass466.22
IUPAC Name1-(4-fluorophenyl)-5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-morpholin-4-ylpyrazin-2-one
SMILESO=c1c(N2CCOCC2)nc(CCCN[C@@H]2C[C@H]2c2ccc(F)cc2)cn1-c1ccc(F)cc1
InChIInChI=1S/C26H28F2N4O2/c27-19-5-3-18(4-6-19)23-16-24(23)29-11-1-2-21-17-32(22-9-7-20(28)8-10-22)26(33)25(30-21)31-12-14-34-15-13-31/h3-10,17,23-24,29H,1-2,11-16H2/t23-,24+/m0/s1
InChIKeyPBWRCMIMVUDFEM-BJKOFHAPSA-N
XLogP3.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-morpholin-4-ylpyrazin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-morpholin-4-ylpyrazin-2-one (CID 146252069) is 1-(4-fluorophenyl)-5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-morpholin-4-ylpyrazin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-morpholin-4-ylpyrazin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-morpholin-4-ylpyrazin-2-one is O=c1c(N2CCOCC2)nc(CCCN[C@@H]2C[C@H]2c2ccc(F)cc2)cn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-morpholin-4-ylpyrazin-2-one?
The InChIKey is PBWRCMIMVUDFEM-BJKOFHAPSA-N. The full InChI is InChI=1S/C26H28F2N4O2/c27-19-5-3-18(4-6-19)23-16-24(23)29-11-1-2-21-17-32(22-9-7-20(28)8-10-22)26(33)25(30-21)31-12-14-34-15-13-31/h3-10,17,23-24,29H,1-2,11-16H2/t23-,24+/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-morpholin-4-ylpyrazin-2-one?
1-(4-fluorophenyl)-5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-morpholin-4-ylpyrazin-2-one has a molecular weight of 466.53 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-morpholin-4-ylpyrazin-2-one is sourced from PubChem (CID 146252069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).