5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-piperazin-1-yl-1H-pyrazin-2-one

C20H26FN5O — CID 146242990

IUPAC5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-piperazin-1-yl-1H-pyrazin-2-one
SMILESO=c1[nH]cc(CCCN[C@@H]2C[C@H]2c2ccc(F)cc2)nc1N1CCNCC1
InChIInChI=1S/C20H26FN5O/c21-15-5-3-14(4-6-15)17-12-18(17)23-7-1-2-16-13-24-20(27)19(25-16)26-10-8-22-9-11-26/h3-6,13,17-18,22-23H,1-2,7-12H2,(H,24,27)/t17-,18+/m0/s1
InChIKeyAVSKXHVIOKJDAD-ZWKOTPCHSA-N
MW371.46 g/mol
LogP1.40
Rot. Bonds7

About 5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-piperazin-1-yl-1H-pyrazin-2-one

5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-piperazin-1-yl-1H-pyrazin-2-one (PubChem CID 146242990) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is 5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-piperazin-1-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-piperazin-1-yl-1H-pyrazin-2-one
PubChem CID146242990
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-piperazin-1-yl-1H-pyrazin-2-one
SMILESO=c1[nH]cc(CCCN[C@@H]2C[C@H]2c2ccc(F)cc2)nc1N1CCNCC1
InChIInChI=1S/C20H26FN5O/c21-15-5-3-14(4-6-15)17-12-18(17)23-7-1-2-16-13-24-20(27)19(25-16)26-10-8-22-9-11-26/h3-6,13,17-18,22-23H,1-2,7-12H2,(H,24,27)/t17-,18+/m0/s1
InChIKeyAVSKXHVIOKJDAD-ZWKOTPCHSA-N
XLogP1.40
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-piperazin-1-yl-1H-pyrazin-2-one?
The IUPAC name of 5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-piperazin-1-yl-1H-pyrazin-2-one (CID 146242990) is 5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-piperazin-1-yl-1H-pyrazin-2-one.
What is the SMILES notation for 5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-piperazin-1-yl-1H-pyrazin-2-one?
The canonical SMILES for 5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-piperazin-1-yl-1H-pyrazin-2-one is O=c1[nH]cc(CCCN[C@@H]2C[C@H]2c2ccc(F)cc2)nc1N1CCNCC1.
What is the InChIKey of 5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-piperazin-1-yl-1H-pyrazin-2-one?
The InChIKey is AVSKXHVIOKJDAD-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H26FN5O/c21-15-5-3-14(4-6-15)17-12-18(17)23-7-1-2-16-13-24-20(27)19(25-16)26-10-8-22-9-11-26/h3-6,13,17-18,22-23H,1-2,7-12H2,(H,24,27)/t17-,18+/m0/s1.
What are the key properties of 5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-piperazin-1-yl-1H-pyrazin-2-one?
5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-piperazin-1-yl-1H-pyrazin-2-one has a molecular weight of 371.46 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-piperazin-1-yl-1H-pyrazin-2-one is sourced from PubChem (CID 146242990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).