[4-[(E)-2-[4-(4-amino-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]ethenyl]phenyl]-morpholin-4-ylmethanone

C26H30N6O2 — CID 89292733

IUPAC[4-[(E)-2-[4-(4-amino-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]ethenyl]phenyl]-morpholin-4-ylmethanone
SMILESNc1cc(-c2ccnc(/C=C/c3ccc(C(=O)N4CCOCC4)cc3)c2)[nH]c1N1CCNCC1
InChIInChI=1S/C26H30N6O2/c27-23-18-24(30-25(23)31-11-9-28-10-12-31)21-7-8-29-22(17-21)6-3-19-1-4-20(5-2-19)26(33)32-13-15-34-16-14-32/h1-8,17-18,28,30H,9-16,27H2/b6-3+
InChIKeyGMJHAOLPKNRDKG-ZZXKWVIFSA-N
MW458.57 g/mol
LogP2.71
Rot. Bonds5

About [4-[(E)-2-[4-(4-amino-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]ethenyl]phenyl]-morpholin-4-ylmethanone

[4-[(E)-2-[4-(4-amino-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]ethenyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 89292733) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is [4-[(E)-2-[4-(4-amino-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]ethenyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(E)-2-[4-(4-amino-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]ethenyl]phenyl]-morpholin-4-ylmethanone
PubChem CID89292733
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name[4-[(E)-2-[4-(4-amino-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]ethenyl]phenyl]-morpholin-4-ylmethanone
SMILESNc1cc(-c2ccnc(/C=C/c3ccc(C(=O)N4CCOCC4)cc3)c2)[nH]c1N1CCNCC1
InChIInChI=1S/C26H30N6O2/c27-23-18-24(30-25(23)31-11-9-28-10-12-31)21-7-8-29-22(17-21)6-3-19-1-4-20(5-2-19)26(33)32-13-15-34-16-14-32/h1-8,17-18,28,30H,9-16,27H2/b6-3+
InChIKeyGMJHAOLPKNRDKG-ZZXKWVIFSA-N
XLogP2.71
TPSA99.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [4-[(E)-2-[4-(4-amino-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]ethenyl]phenyl]-morpholin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

5-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile
CID 24962285
2-piperazin-1-yl-5-[2-[(E)-2-pyridin-2-ylethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxylic acid
CID 141199785
N'-hydroxy-5-[2-(2-phenylethenyl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carboximidamide
CID 136650276
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
2-[2-[(E)-[[4-(morpholine-4-carbonyl)phenyl]hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 10072145
2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile
CID 59292183
5-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine
CID 71123045
(E)-3-[4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]prop-2-enoic acid
CID 24958988
tert-butyl 4-[3-amino-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1H-pyrrol-2-yl]piperazine-1-carboxylate
CID 71123034
5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrol-3-amine
CID 89292756
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
4-[3-amino-5-[2-[2-(1,4-oxazepan-4-yl)pyrimidin-5-yl]-4-pyridinyl]-1H-pyrrol-2-yl]piperazine-1-carbaldehyde
CID 89292784

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-[4-(4-amino-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]ethenyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(E)-2-[4-(4-amino-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]ethenyl]phenyl]-morpholin-4-ylmethanone (CID 89292733) is [4-[(E)-2-[4-(4-amino-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]ethenyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(E)-2-[4-(4-amino-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]ethenyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(E)-2-[4-(4-amino-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]ethenyl]phenyl]-morpholin-4-ylmethanone is Nc1cc(-c2ccnc(/C=C/c3ccc(C(=O)N4CCOCC4)cc3)c2)[nH]c1N1CCNCC1.
What is the InChIKey of [4-[(E)-2-[4-(4-amino-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]ethenyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is GMJHAOLPKNRDKG-ZZXKWVIFSA-N. The full InChI is InChI=1S/C26H30N6O2/c27-23-18-24(30-25(23)31-11-9-28-10-12-31)21-7-8-29-22(17-21)6-3-19-1-4-20(5-2-19)26(33)32-13-15-34-16-14-32/h1-8,17-18,28,30H,9-16,27H2/b6-3+.
What are the key properties of [4-[(E)-2-[4-(4-amino-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]ethenyl]phenyl]-morpholin-4-ylmethanone?
[4-[(E)-2-[4-(4-amino-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]ethenyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 458.57 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-[4-(4-amino-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]ethenyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 89292733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).