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

C25H27N7O2 — CID 24962285

IUPAC5-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3ccc(C(=O)N4CCOCC4)cc3)c2)[nH]c1N1CCNCC1
InChIInChI=1S/C25H27N7O2/c26-17-20-15-22(30-24(20)31-9-7-27-8-10-31)19-5-6-28-23(16-19)29-21-3-1-18(2-4-21)25(33)32-11-13-34-14-12-32/h1-6,15-16,27,30H,7-14H2,(H,28,29)
InChIKeyPVJUGHLIRUVMRF-UHFFFAOYSA-N
MW457.54 g/mol
LogP2.57
Rot. Bonds5

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

5-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile (PubChem CID 24962285) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 5-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile
PubChem CID24962285
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name5-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3ccc(C(=O)N4CCOCC4)cc3)c2)[nH]c1N1CCNCC1
InChIInChI=1S/C25H27N7O2/c26-17-20-15-22(30-24(20)31-9-7-27-8-10-31)19-5-6-28-23(16-19)29-21-3-1-18(2-4-21)25(33)32-11-13-34-14-12-32/h1-6,15-16,27,30H,7-14H2,(H,28,29)
InChIKeyPVJUGHLIRUVMRF-UHFFFAOYSA-N
XLogP2.57
TPSA109.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile
CID 59292183
5-[2-(3-morpholin-4-ylsulfonylanilino)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 24962286
[4-[(E)-2-[4-(4-amino-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]ethenyl]phenyl]-morpholin-4-ylmethanone
CID 89292733
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
4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]-N-cyclopentylbenzamide
CID 24960092
N-(4-morpholin-4-ylsulfonylphenyl)-4-(5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-amine
CID 141199775
(E)-3-[4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]prop-2-enoic acid
CID 24958988
3-[4-(morpholine-4-carbonyl)anilino]benzonitrile
CID 151868524
5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile
CID 24962641
tert-butyl 4-[3-amino-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1H-pyrrol-2-yl]piperazine-1-carboxylate
CID 71123034
2,6-dichloro-N-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]benzamide
CID 59618325
N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide
CID 25059367

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 5-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile (CID 24962285) is 5-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 5-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 5-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile is N#Cc1cc(-c2ccnc(Nc3ccc(C(=O)N4CCOCC4)cc3)c2)[nH]c1N1CCNCC1.
What is the InChIKey of 5-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile?
The InChIKey is PVJUGHLIRUVMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c26-17-20-15-22(30-24(20)31-9-7-27-8-10-31)19-5-6-28-23(16-19)29-21-3-1-18(2-4-21)25(33)32-11-13-34-14-12-32/h1-6,15-16,27,30H,7-14H2,(H,28,29).
What are the key properties of 5-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile?
5-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile has a molecular weight of 457.54 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 24962285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).