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

C31H32N4 — CID 58432550

IUPAC2-[(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
SMILESC1=C(c2ccc(-c3ccc(C4=CN=C([C@@H]5CCCN5)C4)cc3)cc2)CC([C@@H]2C=C(C3CC3)CN2)=N1
InChIInChI=1S/C31H32N4/c1-2-28(32-13-1)29-14-25(17-33-29)22-7-3-20(4-8-22)21-5-9-23(10-6-21)26-15-30(34-18-26)31-16-27(19-35-31)24-11-12-24/h3-10,16-18,24,28,31-32,35H,1-2,11-15,19H2/t28-,31-/m0/s1
InChIKeyBCXZXPKFZZMBNG-IZEXYCQBSA-N
MW460.63 g/mol
LogP5.78
Rot. Bonds6

About 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

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 (PubChem CID 58432550) has the molecular formula C31H32N4 and a molecular weight of 460.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID58432550
Molecular FormulaC31H32N4
Molecular Weight460.63 g/mol
Exact Mass460.26
IUPAC Name2-[(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
SMILESC1=C(c2ccc(-c3ccc(C4=CN=C([C@@H]5CCCN5)C4)cc3)cc2)CC([C@@H]2C=C(C3CC3)CN2)=N1
InChIInChI=1S/C31H32N4/c1-2-28(32-13-1)29-14-25(17-33-29)22-7-3-20(4-8-22)21-5-9-23(10-6-21)26-15-30(34-18-26)31-16-27(19-35-31)24-11-12-24/h3-10,16-18,24,28,31-32,35H,1-2,11-15,19H2/t28-,31-/m0/s1
InChIKeyBCXZXPKFZZMBNG-IZEXYCQBSA-N
XLogP5.78
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.63
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-cyclopropyl-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
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-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
13-(4-iodophenyl)-3,3-dimethyl-10-(4-methylphenyl)-2,4,21,24-tetrahydro-1H-porphyrin
CID 77749187
17-(4-iodophenyl)-3,3-dimethyl-10-(4-methylphenyl)-2,4,21,23-tetrahydro-1H-porphyrin
CID 77754365
(5Z,10Z,14Z,19Z)-17-(4-iodophenyl)-3,3-dimethyl-10-(4-methylphenyl)-2,4,21,23-tetrahydro-1H-porphyrin
CID 88087846
(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
N-[(E)-2-[4-(4-methylphenyl)phenyl]prop-1-enyl]-1-[(2S)-pyrrolidin-2-yl]ethanimine
CID 89044637
(5Z,10Z,14Z,19Z)-15-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,21,23-tetrahydroporphyrin
CID 89086428
15-(4-iodophenyl)-3,3-dimethyl-10-(4-methylphenyl)-2,4,21,24-tetrahydro-1H-porphyrin
CID 90909906
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CID 135711237

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=C(c2ccc(-c3ccc(C4=CN=C([C@@H]5CCCN5)C4)cc3)cc2)CC([C@@H]2C=C(C3CC3)CN2)=N1.
What is the InChIKey of 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?
The InChIKey is BCXZXPKFZZMBNG-IZEXYCQBSA-N. The full InChI is InChI=1S/C31H32N4/c1-2-28(32-13-1)29-14-25(17-33-29)22-7-3-20(4-8-22)21-5-9-23(10-6-21)26-15-30(34-18-26)31-16-27(19-35-31)24-11-12-24/h3-10,16-18,24,28,31-32,35H,1-2,11-15,19H2/t28-,31-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 460.63 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-cyclopropyl-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 58432550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).