(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(7-hydroxy-5-methyl-1H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethanone

C26H32ClN5O2 — CID 123415795

IUPAC(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(7-hydroxy-5-methyl-1H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCc1cc(O)c2[nH]cnc(N3CCN(C(=O)[C@@H](c4ccc(Cl)cc4)[C@@H]4CCC(C)(C)N4)CC3)c1-2
InChIInChI=1S/C26H32ClN5O2/c1-16-14-20(33)23-21(16)24(29-15-28-23)31-10-12-32(13-11-31)25(34)22(17-4-6-18(27)7-5-17)19-8-9-26(2,3)30-19/h4-7,14-15,19,22,30,33H,8-13H2,1-3H3,(H,28,29)/t19-,22-/m0/s1
InChIKeyQWAJKCXACCHFKO-UGKGYDQZSA-N
MW482.03 g/mol
LogP4.14
Rot. Bonds4

About (2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(7-hydroxy-5-methyl-1H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethanone

(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(7-hydroxy-5-methyl-1H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 123415795) has the molecular formula C26H32ClN5O2 and a molecular weight of 482.03 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(7-hydroxy-5-methyl-1H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(7-hydroxy-5-methyl-1H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID123415795
Molecular FormulaC26H32ClN5O2
Molecular Weight482.03 g/mol
Exact Mass481.22
IUPAC Name(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(7-hydroxy-5-methyl-1H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCc1cc(O)c2[nH]cnc(N3CCN(C(=O)[C@@H](c4ccc(Cl)cc4)[C@@H]4CCC(C)(C)N4)CC3)c1-2
InChIInChI=1S/C26H32ClN5O2/c1-16-14-20(33)23-21(16)24(29-15-28-23)31-10-12-32(13-11-31)25(34)22(17-4-6-18(27)7-5-17)19-8-9-26(2,3)30-19/h4-7,14-15,19,22,30,33H,8-13H2,1-3H3,(H,28,29)/t19-,22-/m0/s1
InChIKeyQWAJKCXACCHFKO-UGKGYDQZSA-N
XLogP4.14
TPSA84.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.03
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(7-hydroxy-5-methyl-1H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(4-chlorophenyl)-1-[4-[(7S)-5,7-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]ethanone
CID 143740185
4-[4-[2-(4-chlorophenyl)-2-(5,5-dimethylpyrrolidin-2-yl)acetyl]piperazin-1-yl]-5-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-one
CID 74425490
2-(4-chlorophenyl)-2-(5,5-dimethylpyrrolidin-2-yl)-1-[4-[(5R,7R)-5-(fluoromethyl)-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 66845083
(2S)-2-(4-chloro-3-fluorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 25170567
(2S)-2-(3-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 58111379
(2S)-2-(2,4-dichlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 25171203
(2S)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-2-[2-fluoro-4-(trifluoromethyl)phenyl]-1-[4-[(5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 25172633
(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
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
(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 174681736
2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110311064
tert-butyl (5R)-5-[(1S)-1-(4-chlorophenyl)-2-oxo-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-6-azaspiro[3.4]octane-6-carboxylate
CID 175932468

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(7-hydroxy-5-methyl-1H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of (2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(7-hydroxy-5-methyl-1H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethanone (CID 123415795) is (2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(7-hydroxy-5-methyl-1H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(7-hydroxy-5-methyl-1H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(7-hydroxy-5-methyl-1H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethanone is Cc1cc(O)c2[nH]cnc(N3CCN(C(=O)[C@@H](c4ccc(Cl)cc4)[C@@H]4CCC(C)(C)N4)CC3)c1-2.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(7-hydroxy-5-methyl-1H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is QWAJKCXACCHFKO-UGKGYDQZSA-N. The full InChI is InChI=1S/C26H32ClN5O2/c1-16-14-20(33)23-21(16)24(29-15-28-23)31-10-12-32(13-11-31)25(34)22(17-4-6-18(27)7-5-17)19-8-9-26(2,3)30-19/h4-7,14-15,19,22,30,33H,8-13H2,1-3H3,(H,28,29)/t19-,22-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(7-hydroxy-5-methyl-1H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethanone?
(2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(7-hydroxy-5-methyl-1H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 482.03 g/mol, XLogP of 4.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(7-hydroxy-5-methyl-1H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 123415795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).