2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile

C25H26N6O — CID 59292183

IUPAC2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccnc(-c3ccc(C(=O)N4CCCC4)cc3)c2)[nH]c1N1CCNCC1
InChIInChI=1S/C25H26N6O/c26-17-21-16-23(29-24(21)30-13-9-27-10-14-30)20-7-8-28-22(15-20)18-3-5-19(6-4-18)25(32)31-11-1-2-12-31/h3-8,15-16,27,29H,1-2,9-14H2
InChIKeyXEBBUFKTMCCHCL-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.26
Rot. Bonds4

About 2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile

2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile (PubChem CID 59292183) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile
PubChem CID59292183
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccnc(-c3ccc(C(=O)N4CCCC4)cc3)c2)[nH]c1N1CCNCC1
InChIInChI=1S/C25H26N6O/c26-17-21-16-23(29-24(21)30-13-9-27-10-14-30)20-7-8-28-22(15-20)18-3-5-19(6-4-18)25(32)31-11-1-2-12-31/h3-8,15-16,27,29H,1-2,9-14H2
InChIKeyXEBBUFKTMCCHCL-UHFFFAOYSA-N
XLogP3.26
TPSA88.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]-N-cyclopentylbenzamide
CID 24960092
(E)-3-[4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]prop-2-enoic acid
CID 24958988
5-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile
CID 24962285
5-[2-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 24957501
[3-[4-(5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone
CID 141199773
5-[2-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 24957888
5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile
CID 24962641
5-pyridin-4-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930341
4-[(E)-2-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]ethenyl]-N,N-diethylbenzamide;2,2,2-trifluoroacetic acid
CID 68715617
[4-[(E)-2-[4-(4-amino-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]ethenyl]phenyl]-morpholin-4-ylmethanone
CID 89292733
4-(1,4-diazepane-1-carbonyl)pyridine-2-carbonitrile
CID 83894257
5-(4-fluorophenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930316

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile?
The IUPAC name of 2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile (CID 59292183) is 2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile is N#Cc1cc(-c2ccnc(-c3ccc(C(=O)N4CCCC4)cc3)c2)[nH]c1N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile?
The InChIKey is XEBBUFKTMCCHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c26-17-21-16-23(29-24(21)30-13-9-27-10-14-30)20-7-8-28-22(15-20)18-3-5-19(6-4-18)25(32)31-11-1-2-12-31/h3-8,15-16,27,29H,1-2,9-14H2.
What are the key properties of 2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile?
2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile has a molecular weight of 426.52 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 59292183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).