4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]-N-cyclopentylbenzamide

C26H28N6O — CID 24960092

IUPAC4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]-N-cyclopentylbenzamide
SMILESN#Cc1cc(-c2ccnc(-c3ccc(C(=O)NC4CCCC4)cc3)c2)[nH]c1N1CCNCC1
InChIInChI=1S/C26H28N6O/c27-17-21-16-24(31-25(21)32-13-11-28-12-14-32)20-9-10-29-23(15-20)18-5-7-19(8-6-18)26(33)30-22-3-1-2-4-22/h5-10,15-16,22,28,31H,1-4,11-14H2,(H,30,33)
InChIKeyDWCRGNVZOIBXFM-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.70
Rot. Bonds5

About 4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]-N-cyclopentylbenzamide

4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]-N-cyclopentylbenzamide (PubChem CID 24960092) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]-N-cyclopentylbenzamide.

Molecular Properties

Compound Name4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]-N-cyclopentylbenzamide
PubChem CID24960092
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]-N-cyclopentylbenzamide
SMILESN#Cc1cc(-c2ccnc(-c3ccc(C(=O)NC4CCCC4)cc3)c2)[nH]c1N1CCNCC1
InChIInChI=1S/C26H28N6O/c27-17-21-16-24(31-25(21)32-13-11-28-12-14-32)20-9-10-29-23(15-20)18-5-7-19(8-6-18)26(33)30-22-3-1-2-4-22/h5-10,15-16,22,28,31H,1-4,11-14H2,(H,30,33)
InChIKeyDWCRGNVZOIBXFM-UHFFFAOYSA-N
XLogP3.70
TPSA96.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]-N-cyclopentylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile
CID 59292183
(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-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 24957501
5-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile
CID 24962285
N-cyclohexyl-4-(4-methyl-2-pyridinyl)benzamide
CID 59672894
5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile
CID 24962641
N-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide
CID 126510199
5-pyridin-4-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930341
N-cyclohexyl-3-piperazin-1-ylbenzamide
CID 28748940
N-cyclopentyl-4-[4-(1,1-difluoroethyl)-2-pyridinyl]benzamide
CID 143032281
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
N-cyclopentyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035075

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]-N-cyclopentylbenzamide?
The IUPAC name of 4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]-N-cyclopentylbenzamide (CID 24960092) is 4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]-N-cyclopentylbenzamide.
What is the SMILES notation for 4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]-N-cyclopentylbenzamide?
The canonical SMILES for 4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]-N-cyclopentylbenzamide is N#Cc1cc(-c2ccnc(-c3ccc(C(=O)NC4CCCC4)cc3)c2)[nH]c1N1CCNCC1.
What is the InChIKey of 4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]-N-cyclopentylbenzamide?
The InChIKey is DWCRGNVZOIBXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c27-17-21-16-24(31-25(21)32-13-11-28-12-14-32)20-9-10-29-23(15-20)18-5-7-19(8-6-18)26(33)30-22-3-1-2-4-22/h5-10,15-16,22,28,31H,1-4,11-14H2,(H,30,33).
What are the key properties of 4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]-N-cyclopentylbenzamide?
4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]-N-cyclopentylbenzamide has a molecular weight of 440.55 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]-N-cyclopentylbenzamide is sourced from PubChem (CID 24960092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).