4-[4-[2-(4-chlorophenyl)-2-(5,5-dimethylpyrrolidin-2-yl)acetyl]piperazin-1-yl]-5-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-one

C26H32ClN5O2 — CID 74425490

IUPAC4-[4-[2-(4-chlorophenyl)-2-(5,5-dimethylpyrrolidin-2-yl)acetyl]piperazin-1-yl]-5-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-one
SMILESCC1CC(=O)c2ncnc(N3CCN(C(=O)C(c4ccc(Cl)cc4)C4CCC(C)(C)N4)CC3)c21
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/h4-7,15-16,19,22,30H,8-14H2,1-3H3
InChIKeyXPZFCRJDOIPXHQ-UHFFFAOYSA-N
MW482.03 g/mol
LogP3.78
Rot. Bonds4

About 4-[4-[2-(4-chlorophenyl)-2-(5,5-dimethylpyrrolidin-2-yl)acetyl]piperazin-1-yl]-5-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-one

4-[4-[2-(4-chlorophenyl)-2-(5,5-dimethylpyrrolidin-2-yl)acetyl]piperazin-1-yl]-5-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-one (PubChem CID 74425490) has the molecular formula C26H32ClN5O2 and a molecular weight of 482.03 g/mol. Its IUPAC name is 4-[4-[2-(4-chlorophenyl)-2-(5,5-dimethylpyrrolidin-2-yl)acetyl]piperazin-1-yl]-5-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[4-[2-(4-chlorophenyl)-2-(5,5-dimethylpyrrolidin-2-yl)acetyl]piperazin-1-yl]-5-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-one
PubChem CID74425490
Molecular FormulaC26H32ClN5O2
Molecular Weight482.03 g/mol
Exact Mass481.22
IUPAC Name4-[4-[2-(4-chlorophenyl)-2-(5,5-dimethylpyrrolidin-2-yl)acetyl]piperazin-1-yl]-5-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-one
SMILESCC1CC(=O)c2ncnc(N3CCN(C(=O)C(c4ccc(Cl)cc4)C4CCC(C)(C)N4)CC3)c21
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/h4-7,15-16,19,22,30H,8-14H2,1-3H3
InChIKeyXPZFCRJDOIPXHQ-UHFFFAOYSA-N
XLogP3.78
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.03
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[2-(4-chlorophenyl)-2-(5,5-dimethylpyrrolidin-2-yl)acetyl]piperazin-1-yl]-5-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-one 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
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-(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
(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-[(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)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 174681736
(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-7-methylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5S)-5-methyl-7-methylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(5-methyl-7-methylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 165102435
(2S)-2-(4-chlorophenyl)-3-[(4,4-dimethylcyclohexyl)amino]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 59671182

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-chlorophenyl)-2-(5,5-dimethylpyrrolidin-2-yl)acetyl]piperazin-1-yl]-5-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-one?
The IUPAC name of 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) is 4-[4-[2-(4-chlorophenyl)-2-(5,5-dimethylpyrrolidin-2-yl)acetyl]piperazin-1-yl]-5-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-one.
What is the SMILES notation for 4-[4-[2-(4-chlorophenyl)-2-(5,5-dimethylpyrrolidin-2-yl)acetyl]piperazin-1-yl]-5-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-one?
The canonical SMILES for 4-[4-[2-(4-chlorophenyl)-2-(5,5-dimethylpyrrolidin-2-yl)acetyl]piperazin-1-yl]-5-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-one is CC1CC(=O)c2ncnc(N3CCN(C(=O)C(c4ccc(Cl)cc4)C4CCC(C)(C)N4)CC3)c21.
What is the InChIKey of 4-[4-[2-(4-chlorophenyl)-2-(5,5-dimethylpyrrolidin-2-yl)acetyl]piperazin-1-yl]-5-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-one?
The InChIKey is XPZFCRJDOIPXHQ-UHFFFAOYSA-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/h4-7,15-16,19,22,30H,8-14H2,1-3H3.
What are the key properties of 4-[4-[2-(4-chlorophenyl)-2-(5,5-dimethylpyrrolidin-2-yl)acetyl]piperazin-1-yl]-5-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-one?
4-[4-[2-(4-chlorophenyl)-2-(5,5-dimethylpyrrolidin-2-yl)acetyl]piperazin-1-yl]-5-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-one has a molecular weight of 482.03 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-chlorophenyl)-2-(5,5-dimethylpyrrolidin-2-yl)acetyl]piperazin-1-yl]-5-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-one is sourced from PubChem (CID 74425490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).