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

C28H28F2N4 — CID 58490858

IUPAC2-[(2S,4S)-4-fluoropyrrolidin-2-yl]-4-[4-[4-[2-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole
SMILESF[C@@H]1CN[C@H](C2=NC=C(c3ccc(-c4ccc(C5=CN=C([C@@H]6C[C@H](F)CN6)C5)cc4)cc3)C2)C1
InChIInChI=1S/C28H28F2N4/c29-23-11-27(33-15-23)25-9-21(13-31-25)19-5-1-17(2-6-19)18-3-7-20(8-4-18)22-10-26(32-14-22)28-12-24(30)16-34-28/h1-8,13-14,23-24,27-28,33-34H,9-12,15-16H2/t23-,24-,27-,28-/m0/s1
InChIKeyMDCFBECKZSCXKT-LSGCGUROSA-N
MW458.56 g/mol
LogP5.12
Rot. Bonds5

About 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

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 (PubChem CID 58490858) has the molecular formula C28H28F2N4 and a molecular weight of 458.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(2S,4S)-4-fluoropyrrolidin-2-yl]-4-[4-[4-[2-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole
PubChem CID58490858
Molecular FormulaC28H28F2N4
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name2-[(2S,4S)-4-fluoropyrrolidin-2-yl]-4-[4-[4-[2-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole
SMILESF[C@@H]1CN[C@H](C2=NC=C(c3ccc(-c4ccc(C5=CN=C([C@@H]6C[C@H](F)CN6)C5)cc4)cc3)C2)C1
InChIInChI=1S/C28H28F2N4/c29-23-11-27(33-15-23)25-9-21(13-31-25)19-5-1-17(2-6-19)18-3-7-20(8-4-18)22-10-26(32-14-22)28-12-24(30)16-34-28/h1-8,13-14,23-24,27-28,33-34H,9-12,15-16H2/t23-,24-,27-,28-/m0/s1
InChIKeyMDCFBECKZSCXKT-LSGCGUROSA-N
XLogP5.12
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

4-(2-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole
CID 149180877
4-(2,4-difluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole
CID 162179379
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
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
N-[(E)-2-[4-(4-methylphenyl)phenyl]prop-1-enyl]-1-[(2S)-pyrrolidin-2-yl]ethanimine
CID 89044637
4-methyl-5-[2-[4-[(4-methylpyrrolidin-3-yl)methyl]phenyl]ethyl]-2-phenyl-3H-pyrrole
CID 142849363
4-(4-phenylphenyl)-2-pyrrolidin-2-yl-3H-pyrrole
CID 146841040
2-[(2S)-4-ethylidenepyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole
CID 149091484
methane;(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 158195123

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is F[C@@H]1CN[C@H](C2=NC=C(c3ccc(-c4ccc(C5=CN=C([C@@H]6C[C@H](F)CN6)C5)cc4)cc3)C2)C1.
What is the InChIKey of 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?
The InChIKey is MDCFBECKZSCXKT-LSGCGUROSA-N. The full InChI is InChI=1S/C28H28F2N4/c29-23-11-27(33-15-23)25-9-21(13-31-25)19-5-1-17(2-6-19)18-3-7-20(8-4-18)22-10-26(32-14-22)28-12-24(30)16-34-28/h1-8,13-14,23-24,27-28,33-34H,9-12,15-16H2/t23-,24-,27-,28-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 458.56 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58490858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).