[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone

C23H26N4O — CID 53159775

IUPAC[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C23H26N4O/c1-18-5-3-4-6-20(18)16-27-17-21(19-7-9-24-10-8-19)15-22(27)23(28)26-13-11-25(2)12-14-26/h3-10,15,17H,11-14,16H2,1-2H3
InChIKeyVRIGGYLFGGICIM-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.29
Rot. Bonds4

About [1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone

[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 53159775) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is [1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID53159775
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C23H26N4O/c1-18-5-3-4-6-20(18)16-27-17-21(19-7-9-24-10-8-19)15-22(27)23(28)26-13-11-25(2)12-14-26/h3-10,15,17H,11-14,16H2,1-2H3
InChIKeyVRIGGYLFGGICIM-UHFFFAOYSA-N
XLogP3.29
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 53159775) is [1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone is Cc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)N1CCN(C)CC1.
What is the InChIKey of [1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is VRIGGYLFGGICIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-18-5-3-4-6-20(18)16-27-17-21(19-7-9-24-10-8-19)15-22(27)23(28)26-13-11-25(2)12-14-26/h3-10,15,17H,11-14,16H2,1-2H3.
What are the key properties of [1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone?
[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 374.49 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 53159775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).