2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole

C29H30N4 — CID 58432529

IUPAC2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole
SMILESCC1=C[C@@H](C2=NC=C(c3ccc(-c4ccc(C5=CN=C([C@@H]6CCCN6)C5)cc4)cc3)C2)NC1
InChIInChI=1S/C29H30N4/c1-19-13-27(31-16-19)29-15-25(18-33-29)23-10-6-21(7-11-23)20-4-8-22(9-5-20)24-14-28(32-17-24)26-3-2-12-30-26/h4-11,13,17-18,26-27,30-31H,2-3,12,14-16H2,1H3/t26-,27-/m0/s1
InChIKeyILJALSVLCRMSED-SVBPBHIXSA-N
MW434.59 g/mol
LogP5.39
Rot. Bonds5

About 2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole

2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole (PubChem CID 58432529) has the molecular formula C29H30N4 and a molecular weight of 434.59 g/mol. Its IUPAC name is 2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole.

Molecular Properties

Compound Name2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole
PubChem CID58432529
Molecular FormulaC29H30N4
Molecular Weight434.59 g/mol
Exact Mass434.25
IUPAC Name2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole
SMILESCC1=C[C@@H](C2=NC=C(c3ccc(-c4ccc(C5=CN=C([C@@H]6CCCN6)C5)cc4)cc3)C2)NC1
InChIInChI=1S/C29H30N4/c1-19-13-27(31-16-19)29-15-25(18-33-29)23-10-6-21(7-11-23)20-4-8-22(9-5-20)24-14-28(32-17-24)26-3-2-12-30-26/h4-11,13,17-18,26-27,30-31H,2-3,12,14-16H2,1H3/t26-,27-/m0/s1
InChIKeyILJALSVLCRMSED-SVBPBHIXSA-N
XLogP5.39
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole with MolForge

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Related Compounds

2-[(2S,4S)-4-fluoropyrrolidin-2-yl]-4-[4-[4-[2-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole
CID 58490858
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2-[(2S,4E)-4-ethylidenepyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole
CID 58432515
2-[(2S)-4-ethyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole
CID 58432545
2-[(2S)-4-cyclopropyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole
CID 58432550
(4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine
CID 58490872
13-(4-iodophenyl)-3,3-dimethyl-10-(4-methylphenyl)-2,4,21,24-tetrahydro-1H-porphyrin
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CID 77754365
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CID 88087846
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CID 88191215
(4Z,6E)-5-methyl-N-[(2-methyl-3,4-dihydropyridin-5-yl)methyl]-7-(4-methylphenyl)nona-4,6,8-trien-2-amine
CID 88235407
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CID 89044637

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole?
The IUPAC name of 2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole (CID 58432529) is 2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole.
What is the SMILES notation for 2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole?
The canonical SMILES for 2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole is CC1=C[C@@H](C2=NC=C(c3ccc(-c4ccc(C5=CN=C([C@@H]6CCCN6)C5)cc4)cc3)C2)NC1.
What is the InChIKey of 2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole?
The InChIKey is ILJALSVLCRMSED-SVBPBHIXSA-N. The full InChI is InChI=1S/C29H30N4/c1-19-13-27(31-16-19)29-15-25(18-33-29)23-10-6-21(7-11-23)20-4-8-22(9-5-20)24-14-28(32-17-24)26-3-2-12-30-26/h4-11,13,17-18,26-27,30-31H,2-3,12,14-16H2,1H3/t26-,27-/m0/s1.
What are the key properties of 2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole?
2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole has a molecular weight of 434.59 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole is sourced from PubChem (CID 58432529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).