(4R)-1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-one

C24H25FN6O — CID 118196675

IUPAC(4R)-1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-one
SMILESCc1ncccc1-c1cc(F)cc(N2C[C@H](N3CCN(c4ncccn4)CC3)CC2=O)c1
InChIInChI=1S/C24H25FN6O/c1-17-22(4-2-5-26-17)18-12-19(25)14-20(13-18)31-16-21(15-23(31)32)29-8-10-30(11-9-29)24-27-6-3-7-28-24/h2-7,12-14,21H,8-11,15-16H2,1H3/t21-/m1/s1
InChIKeyKRTLYJDCOZBDAH-OAQYLSRUSA-N
MW432.50 g/mol
LogP2.91
Rot. Bonds4

About (4R)-1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-one

(4R)-1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-one (PubChem CID 118196675) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is (4R)-1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-one
PubChem CID118196675
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name(4R)-1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-one
SMILESCc1ncccc1-c1cc(F)cc(N2C[C@H](N3CCN(c4ncccn4)CC3)CC2=O)c1
InChIInChI=1S/C24H25FN6O/c1-17-22(4-2-5-26-17)18-12-19(25)14-20(13-18)31-16-21(15-23(31)32)29-8-10-30(11-9-29)24-27-6-3-7-28-24/h2-7,12-14,21H,8-11,15-16H2,1H3/t21-/m1/s1
InChIKeyKRTLYJDCOZBDAH-OAQYLSRUSA-N
XLogP2.91
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-one (CID 118196675) is (4R)-1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-one is Cc1ncccc1-c1cc(F)cc(N2C[C@H](N3CCN(c4ncccn4)CC3)CC2=O)c1.
What is the InChIKey of (4R)-1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-one?
The InChIKey is KRTLYJDCOZBDAH-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-17-22(4-2-5-26-17)18-12-19(25)14-20(13-18)31-16-21(15-23(31)32)29-8-10-30(11-9-29)24-27-6-3-7-28-24/h2-7,12-14,21H,8-11,15-16H2,1H3/t21-/m1/s1.
What are the key properties of (4R)-1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-one?
(4R)-1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-one has a molecular weight of 432.50 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 118196675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).