[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone

C23H33N5O — CID 46383932

IUPAC[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)CC2)c(C)n1-c1ccc(N2CCC(C)CC2)nc1
InChIInChI=1S/C23H33N5O/c1-17-7-9-26(10-8-17)22-6-5-20(16-24-22)28-18(2)15-21(19(28)3)23(29)27-13-11-25(4)12-14-27/h5-6,15-17H,7-14H2,1-4H3
InChIKeyYYAMSCBCHFIWLU-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.11
Rot. Bonds3

About [2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone

[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 46383932) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is [2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID46383932
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)CC2)c(C)n1-c1ccc(N2CCC(C)CC2)nc1
InChIInChI=1S/C23H33N5O/c1-17-7-9-26(10-8-17)22-6-5-20(16-24-22)28-18(2)15-21(19(28)3)23(29)27-13-11-25(4)12-14-27/h5-6,15-17H,7-14H2,1-4H3
InChIKeyYYAMSCBCHFIWLU-UHFFFAOYSA-N
XLogP3.11
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]methanone
CID 46383931
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrole-3-carboxamide
CID 50827478
(4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 110691230
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109152530
ethyl 2,5-dimethyl-1-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxylate
CID 20930637
(4-aminopiperidin-1-yl)-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 119374279
[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958860
[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 7213876
[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78835942
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109154538
(2,5-dimethyl-1-phenylpyrrol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 46798353
[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110887179

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 46383932) is [2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCN(C)CC2)c(C)n1-c1ccc(N2CCC(C)CC2)nc1.
What is the InChIKey of [2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is YYAMSCBCHFIWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-17-7-9-26(10-8-17)22-6-5-20(16-24-22)28-18(2)15-21(19(28)3)23(29)27-13-11-25(4)12-14-27/h5-6,15-17H,7-14H2,1-4H3.
What are the key properties of [2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone?
[2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 395.55 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 46383932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).