(4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

C15H16Cl2N4O — CID 78833649

IUPAC(4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)c(Cl)[nH]1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C15H16Cl2N4O/c16-12-9-13(19-14(12)17)15(22)21-7-5-20(6-8-21)10-11-1-3-18-4-2-11/h1-4,9,19H,5-8,10H2
InChIKeyWHEVKZASPWYPHJ-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.67
Rot. Bonds3

About (4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

(4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 78833649) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is (4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID78833649
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name(4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)c(Cl)[nH]1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C15H16Cl2N4O/c16-12-9-13(19-14(12)17)15(22)21-7-5-20(6-8-21)10-11-1-3-18-4-2-11/h1-4,9,19H,5-8,10H2
InChIKeyWHEVKZASPWYPHJ-UHFFFAOYSA-N
XLogP2.67
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226484
1H-pyrazol-5-yl-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 86284090
4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3H-1,3-thiazol-2-one
CID 127893675
2-(4-chlorophenyl)-1-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]ethanone
CID 78882209
(2-chloro-5-methylsulfanylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856726
(2,5-dichlorothiophen-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856983
(2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 106686183
[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 86781778
(2-chloro-4,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70724703
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
(4-chloro-3-methylphenyl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70719369
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805

Frequently Asked Questions

What is the IUPAC name of (4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 78833649) is (4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is O=C(c1cc(Cl)c(Cl)[nH]1)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of (4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is WHEVKZASPWYPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c16-12-9-13(19-14(12)17)15(22)21-7-5-20(6-8-21)10-11-1-3-18-4-2-11/h1-4,9,19H,5-8,10H2.
What are the key properties of (4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
(4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 339.23 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 78833649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).