(2-fluorophenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone

C20H24FN5O — CID 92572364

IUPAC(2-fluorophenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(Cc2ccnc(N3CCCC3)n2)CC1
InChIInChI=1S/C20H24FN5O/c21-18-6-2-1-5-17(18)19(27)25-13-11-24(12-14-25)15-16-7-8-22-20(23-16)26-9-3-4-10-26/h1-2,5-8H,3-4,9-15H2
InChIKeyFIFPLOOZMMRISG-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.17
Rot. Bonds4

About (2-fluorophenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone

(2-fluorophenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 92572364) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID92572364
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name(2-fluorophenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(Cc2ccnc(N3CCCC3)n2)CC1
InChIInChI=1S/C20H24FN5O/c21-18-6-2-1-5-17(18)19(27)25-13-11-24(12-14-25)15-16-7-8-22-20(23-16)26-9-3-4-10-26/h1-2,5-8H,3-4,9-15H2
InChIKeyFIFPLOOZMMRISG-UHFFFAOYSA-N
XLogP2.17
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone (CID 92572364) is (2-fluorophenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone is O=C(c1ccccc1F)N1CCN(Cc2ccnc(N3CCCC3)n2)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is FIFPLOOZMMRISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c21-18-6-2-1-5-17(18)19(27)25-13-11-24(12-14-25)15-16-7-8-22-20(23-16)26-9-3-4-10-26/h1-2,5-8H,3-4,9-15H2.
What are the key properties of (2-fluorophenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 369.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 92572364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).