[4-(4-chlorophenyl)-1-ethylpyrrol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C22H23ClN4O — CID 53147799

IUPAC[4-(4-chlorophenyl)-1-ethylpyrrol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCn1cc(-c2ccc(Cl)cc2)cc1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H23ClN4O/c1-2-25-16-18(17-6-8-19(23)9-7-17)15-20(25)22(28)27-13-11-26(12-14-27)21-5-3-4-10-24-21/h3-10,15-16H,2,11-14H2,1H3
InChIKeyPOZUETBPFXFIDF-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.19
Rot. Bonds4

About [4-(4-chlorophenyl)-1-ethylpyrrol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[4-(4-chlorophenyl)-1-ethylpyrrol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 53147799) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-1-ethylpyrrol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-1-ethylpyrrol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID53147799
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name[4-(4-chlorophenyl)-1-ethylpyrrol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCn1cc(-c2ccc(Cl)cc2)cc1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H23ClN4O/c1-2-25-16-18(17-6-8-19(23)9-7-17)15-20(25)22(28)27-13-11-26(12-14-27)21-5-3-4-10-24-21/h3-10,15-16H,2,11-14H2,1H3
InChIKeyPOZUETBPFXFIDF-UHFFFAOYSA-N
XLogP4.19
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-1-ethylpyrrol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)-1-ethylpyrrol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 53147799) is [4-(4-chlorophenyl)-1-ethylpyrrol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)-1-ethylpyrrol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)-1-ethylpyrrol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is CCn1cc(-c2ccc(Cl)cc2)cc1C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)-1-ethylpyrrol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is POZUETBPFXFIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-2-25-16-18(17-6-8-19(23)9-7-17)15-20(25)22(28)27-13-11-26(12-14-27)21-5-3-4-10-24-21/h3-10,15-16H,2,11-14H2,1H3.
What are the key properties of [4-(4-chlorophenyl)-1-ethylpyrrol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[4-(4-chlorophenyl)-1-ethylpyrrol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 394.91 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-1-ethylpyrrol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 53147799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).