(2S)-1-[4-[(5R,7R)-7-methoxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone

C27H37N5O2 — CID 58111319

IUPAC(2S)-1-[4-[(5R,7R)-7-methoxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone
SMILESCO[C@@H]1C[C@@H](C)c2c1ncnc2N1CCN(C(=O)[C@@H](c2ccc(C)cc2)[C@@H]2CCCN2C)CC1
InChIInChI=1S/C27H37N5O2/c1-18-7-9-20(10-8-18)24(21-6-5-11-30(21)3)27(33)32-14-12-31(13-15-32)26-23-19(2)16-22(34-4)25(23)28-17-29-26/h7-10,17,19,21-22,24H,5-6,11-16H2,1-4H3/t19-,21+,22-,24+/m1/s1
InChIKeyUCSIOHBAQJSNEA-SPHCQZIESA-N
MW463.63 g/mol
LogP3.51
Rot. Bonds5

About (2S)-1-[4-[(5R,7R)-7-methoxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone

(2S)-1-[4-[(5R,7R)-7-methoxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone (PubChem CID 58111319) has the molecular formula C27H37N5O2 and a molecular weight of 463.63 g/mol. Its IUPAC name is (2S)-1-[4-[(5R,7R)-7-methoxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name(2S)-1-[4-[(5R,7R)-7-methoxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone
PubChem CID58111319
Molecular FormulaC27H37N5O2
Molecular Weight463.63 g/mol
Exact Mass463.29
IUPAC Name(2S)-1-[4-[(5R,7R)-7-methoxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone
SMILESCO[C@@H]1C[C@@H](C)c2c1ncnc2N1CCN(C(=O)[C@@H](c2ccc(C)cc2)[C@@H]2CCCN2C)CC1
InChIInChI=1S/C27H37N5O2/c1-18-7-9-20(10-8-18)24(21-6-5-11-30(21)3)27(33)32-14-12-31(13-15-32)26-23-19(2)16-22(34-4)25(23)28-17-29-26/h7-10,17,19,21-22,24H,5-6,11-16H2,1-4H3/t19-,21+,22-,24+/m1/s1
InChIKeyUCSIOHBAQJSNEA-SPHCQZIESA-N
XLogP3.51
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[4-[(5R,7R)-7-methoxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-(4-chlorophenyl)-1-[4-[(5S,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 118339955
tert-butyl 2-[(1S)-1-(4-chlorophenyl)-2-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxylate
CID 66845587
2-[(1S)-1-(4-cyclopropylphenyl)-2-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxylic acid
CID 66845421
(2S)-2-(4-chlorophenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 25171196
(2S)-2-(4-cyclopropylphenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 25171611
(2S)-2-(4-chlorophenyl)-2-[(2S)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]-1-[4-[(5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 57411591
tert-butyl (2S)-2-[(1S)-1-(4-chlorophenyl)-2-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 66846199
2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-(1,5,5-trimethylpyrrolidin-2-yl)ethanone
CID 66845138
2-[(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxylic acid
CID 66845335
(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-[(2S)-pyrrolidin-2-yl]ethanone
CID 25170562
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
(2S)-2-(4-chlorophenyl)-2-[(2S)-1-(3-hydroxypropyl)pyrrolidin-2-yl]-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 90372209

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(5R,7R)-7-methoxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone?
The IUPAC name of (2S)-1-[4-[(5R,7R)-7-methoxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone (CID 58111319) is (2S)-1-[4-[(5R,7R)-7-methoxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for (2S)-1-[4-[(5R,7R)-7-methoxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone?
The canonical SMILES for (2S)-1-[4-[(5R,7R)-7-methoxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone is CO[C@@H]1C[C@@H](C)c2c1ncnc2N1CCN(C(=O)[C@@H](c2ccc(C)cc2)[C@@H]2CCCN2C)CC1.
What is the InChIKey of (2S)-1-[4-[(5R,7R)-7-methoxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone?
The InChIKey is UCSIOHBAQJSNEA-SPHCQZIESA-N. The full InChI is InChI=1S/C27H37N5O2/c1-18-7-9-20(10-8-18)24(21-6-5-11-30(21)3)27(33)32-14-12-31(13-15-32)26-23-19(2)16-22(34-4)25(23)28-17-29-26/h7-10,17,19,21-22,24H,5-6,11-16H2,1-4H3/t19-,21+,22-,24+/m1/s1.
What are the key properties of (2S)-1-[4-[(5R,7R)-7-methoxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone?
(2S)-1-[4-[(5R,7R)-7-methoxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone has a molecular weight of 463.63 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(5R,7R)-7-methoxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 58111319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).