1-[(4-methylphenyl)methyl]-4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one

C23H25N5O2S — CID 112814492

IUPAC1-[(4-methylphenyl)methyl]-4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(CN2CC(C(=O)N3CCN(c4ncnc5sccc45)CC3)CC2=O)cc1
InChIInChI=1S/C23H25N5O2S/c1-16-2-4-17(5-3-16)13-28-14-18(12-20(28)29)23(30)27-9-7-26(8-10-27)21-19-6-11-31-22(19)25-15-24-21/h2-6,11,15,18H,7-10,12-14H2,1H3
InChIKeyKEUARIMGFMKBHN-UHFFFAOYSA-N
MW435.55 g/mol
LogP2.70
Rot. Bonds4

About 1-[(4-methylphenyl)methyl]-4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one

1-[(4-methylphenyl)methyl]-4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 112814492) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID112814492
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Name1-[(4-methylphenyl)methyl]-4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(CN2CC(C(=O)N3CCN(c4ncnc5sccc45)CC3)CC2=O)cc1
InChIInChI=1S/C23H25N5O2S/c1-16-2-4-17(5-3-16)13-28-14-18(12-20(28)29)23(30)27-9-7-26(8-10-27)21-19-6-11-31-22(19)25-15-24-21/h2-6,11,15,18H,7-10,12-14H2,1H3
InChIKeyKEUARIMGFMKBHN-UHFFFAOYSA-N
XLogP2.70
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(4-methylphenyl)methyl]-4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7892722
(4S)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 9145709
(4S)-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 27826301
(4R)-4-[3-(hydroxymethyl)azetidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 97352310
N-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 133356434
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
(3-aminocyclopentyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 119842588
(3S)-1-[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 124697232
4-(3-aminopiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 119379101
(3R)-1-[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 124697224
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride
CID 119645946
(4R)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 52735985

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-[(4-methylphenyl)methyl]-4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 112814492) is 1-[(4-methylphenyl)methyl]-4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one is Cc1ccc(CN2CC(C(=O)N3CCN(c4ncnc5sccc45)CC3)CC2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is KEUARIMGFMKBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-16-2-4-17(5-3-16)13-28-14-18(12-20(28)29)23(30)27-9-7-26(8-10-27)21-19-6-11-31-22(19)25-15-24-21/h2-6,11,15,18H,7-10,12-14H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-[(4-methylphenyl)methyl]-4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 435.55 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 112814492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).