[1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone

C24H32N4O2 — CID 60559316

IUPAC[1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccccc1-n1c(C)cc(C(=O)N2CCCC2C(=O)N2CCN(C)CC2)c1C
InChIInChI=1S/C24H32N4O2/c1-17-8-5-6-9-21(17)28-18(2)16-20(19(28)3)23(29)27-11-7-10-22(27)24(30)26-14-12-25(4)13-15-26/h5-6,8-9,16,22H,7,10-15H2,1-4H3
InChIKeyYUMSKBKCHLAZBO-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.78
Rot. Bonds3

About [1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone

[1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 60559316) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is [1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID60559316
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name[1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccccc1-n1c(C)cc(C(=O)N2CCCC2C(=O)N2CCN(C)CC2)c1C
InChIInChI=1S/C24H32N4O2/c1-17-8-5-6-9-21(17)28-18(2)16-20(19(28)3)23(29)27-11-7-10-22(27)24(30)26-14-12-25(4)13-15-26/h5-6,8-9,16,22H,7,10-15H2,1-4H3
InChIKeyYUMSKBKCHLAZBO-UHFFFAOYSA-N
XLogP2.78
TPSA48.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370736
[(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285877
[(2S)-1-(2,5-difluorobenzoyl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 94161022
[(3R)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methanone
CID 119413144
[(3R)-3-aminopyrrolidin-1-yl]-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methanone;hydrochloride
CID 119413143
[1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78859316
1-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60524713
1-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355581
N-(cyclopropylmethyl)-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperidine-3-carboxamide
CID 55748195
6-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514633
[4-[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 3990372
1-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone
CID 53355380

Frequently Asked Questions

What is the IUPAC name of [1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 60559316) is [1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone is Cc1ccccc1-n1c(C)cc(C(=O)N2CCCC2C(=O)N2CCN(C)CC2)c1C.
What is the InChIKey of [1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is YUMSKBKCHLAZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-17-8-5-6-9-21(17)28-18(2)16-20(19(28)3)23(29)27-11-7-10-22(27)24(30)26-14-12-25(4)13-15-26/h5-6,8-9,16,22H,7,10-15H2,1-4H3.
What are the key properties of [1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone?
[1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 408.55 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 60559316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).