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

C30H32N4 — CID 58432545

IUPAC2-[(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
SMILESCCC1=C[C@@H](C2=NC=C(c3ccc(-c4ccc(C5=CN=C([C@@H]6CCCN6)C5)cc4)cc3)C2)NC1
InChIInChI=1S/C30H32N4/c1-2-20-14-28(32-17-20)30-16-26(19-34-30)24-11-7-22(8-12-24)21-5-9-23(10-6-21)25-15-29(33-18-25)27-4-3-13-31-27/h5-12,14,18-19,27-28,31-32H,2-4,13,15-17H2,1H3/t27-,28-/m0/s1
InChIKeyDQQQZQOGHOQCRB-NSOVKSMOSA-N
MW448.61 g/mol
LogP5.78
Rot. Bonds6

About 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

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 (PubChem CID 58432545) has the molecular formula C30H32N4 and a molecular weight of 448.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID58432545
Molecular FormulaC30H32N4
Molecular Weight448.61 g/mol
Exact Mass448.26
IUPAC Name2-[(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
SMILESCCC1=C[C@@H](C2=NC=C(c3ccc(-c4ccc(C5=CN=C([C@@H]6CCCN6)C5)cc4)cc3)C2)NC1
InChIInChI=1S/C30H32N4/c1-2-20-14-28(32-17-20)30-16-26(19-34-30)24-11-7-22(8-12-24)21-5-9-23(10-6-21)25-15-29(33-18-25)27-4-3-13-31-27/h5-12,14,18-19,27-28,31-32H,2-4,13,15-17H2,1H3/t27-,28-/m0/s1
InChIKeyDQQQZQOGHOQCRB-NSOVKSMOSA-N
XLogP5.78
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 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-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
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
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CID 88087846
2-[4-[(4Z,10Z,15Z,19Z)-8,8-dimethyl-15-(4-methylphenyl)-7,9,22,24-tetrahydro-6H-porphyrin-2-yl]phenyl]ethynyl-trimethylsilane
CID 88102114
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CID 88191215

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1=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-ethyl-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 DQQQZQOGHOQCRB-NSOVKSMOSA-N. The full InChI is InChI=1S/C30H32N4/c1-2-20-14-28(32-17-20)30-16-26(19-34-30)24-11-7-22(8-12-24)21-5-9-23(10-6-21)25-15-29(33-18-25)27-4-3-13-31-27/h5-12,14,18-19,27-28,31-32H,2-4,13,15-17H2,1H3/t27-,28-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 448.61 g/mol, XLogP of 5.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58432545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).