5-[(1S)-2-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one

C25H28F3N5O3 — CID 66845448

IUPAC5-[(1S)-2-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one
SMILESC[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@@H](c4ccc(C(F)(F)F)cc4)C4CCC(=O)N4)CC3)c21
InChIInChI=1S/C25H28F3N5O3/c1-14-12-18(34)22-20(14)23(30-13-29-22)32-8-10-33(11-9-32)24(36)21(17-6-7-19(35)31-17)15-2-4-16(5-3-15)25(26,27)28/h2-5,13-14,17-18,21,34H,6-12H2,1H3,(H,31,35)/t14-,17?,18-,21+/m1/s1
InChIKeyDVIKZCZCIOJAFS-UJNQSHTHSA-N
MW503.53 g/mol
LogP2.75
Rot. Bonds4

About 5-[(1S)-2-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one

5-[(1S)-2-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one (PubChem CID 66845448) has the molecular formula C25H28F3N5O3 and a molecular weight of 503.53 g/mol. Its IUPAC name is 5-[(1S)-2-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(1S)-2-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one
PubChem CID66845448
Molecular FormulaC25H28F3N5O3
Molecular Weight503.53 g/mol
Exact Mass503.21
IUPAC Name5-[(1S)-2-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one
SMILESC[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@@H](c4ccc(C(F)(F)F)cc4)C4CCC(=O)N4)CC3)c21
InChIInChI=1S/C25H28F3N5O3/c1-14-12-18(34)22-20(14)23(30-13-29-22)32-8-10-33(11-9-32)24(36)21(17-6-7-19(35)31-17)15-2-4-16(5-3-15)25(26,27)28/h2-5,13-14,17-18,21,34H,6-12H2,1H3,(H,31,35)/t14-,17?,18-,21+/m1/s1
InChIKeyDVIKZCZCIOJAFS-UJNQSHTHSA-N
XLogP2.75
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.53
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(1S)-2-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-2-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one?
The IUPAC name of 5-[(1S)-2-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one (CID 66845448) is 5-[(1S)-2-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(1S)-2-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(1S)-2-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one is C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@@H](c4ccc(C(F)(F)F)cc4)C4CCC(=O)N4)CC3)c21.
What is the InChIKey of 5-[(1S)-2-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one?
The InChIKey is DVIKZCZCIOJAFS-UJNQSHTHSA-N. The full InChI is InChI=1S/C25H28F3N5O3/c1-14-12-18(34)22-20(14)23(30-13-29-22)32-8-10-33(11-9-32)24(36)21(17-6-7-19(35)31-17)15-2-4-16(5-3-15)25(26,27)28/h2-5,13-14,17-18,21,34H,6-12H2,1H3,(H,31,35)/t14-,17?,18-,21+/m1/s1.
What are the key properties of 5-[(1S)-2-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one?
5-[(1S)-2-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one has a molecular weight of 503.53 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-2-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 66845448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).