(5S)-5-[4-[4-[4-[2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-3-ol

C28H30N4O2 — CID 58490517

IUPAC(5S)-5-[4-[4-[4-[2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-3-ol
SMILESOC1CN[C@H](C2=NC=C(c3ccc(-c4ccc(C5=CN=C([C@@H]6C[C@H](O)CN6)C5)cc4)cc3)C2)C1
InChIInChI=1S/C28H30N4O2/c33-23-11-27(31-15-23)25-9-21(13-29-25)19-5-1-17(2-6-19)18-3-7-20(8-4-18)22-10-26(30-14-22)28-12-24(34)16-32-28/h1-8,13-14,23-24,27-28,31-34H,9-12,15-16H2/t23-,24?,27-,28-/m0/s1
InChIKeyGZSVIVGHSBXQRD-SXWSDXSSSA-N
MW454.57 g/mol
LogP3.17
Rot. Bonds5

About (5S)-5-[4-[4-[4-[2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-3-ol

(5S)-5-[4-[4-[4-[2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-3-ol (PubChem CID 58490517) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is (5S)-5-[4-[4-[4-[2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(5S)-5-[4-[4-[4-[2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-3-ol
PubChem CID58490517
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name(5S)-5-[4-[4-[4-[2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-3-ol
SMILESOC1CN[C@H](C2=NC=C(c3ccc(-c4ccc(C5=CN=C([C@@H]6C[C@H](O)CN6)C5)cc4)cc3)C2)C1
InChIInChI=1S/C28H30N4O2/c33-23-11-27(31-15-23)25-9-21(13-29-25)19-5-1-17(2-6-19)18-3-7-20(8-4-18)22-10-26(30-14-22)28-12-24(34)16-32-28/h1-8,13-14,23-24,27-28,31-34H,9-12,15-16H2/t23-,24?,27-,28-/m0/s1
InChIKeyGZSVIVGHSBXQRD-SXWSDXSSSA-N
XLogP3.17
TPSA89.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (5S)-5-[4-[4-[4-[2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

(3R,5S)-5-[4-[4-[4-[2-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-3-ol
CID 58490418
tert-butyl (2S,4S)-4-hydroxy-2-[4-[4-[4-[2-[(2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate
CID 58490568
(3S,5S)-5-[4-[4-[4-[2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-3-ol
CID 147737928
(3R,5S)-5-[4-[4-[4-[2-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-3-ol;methane
CID 158457268
(3S,5S)-5-[4-[4-[4-[2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-3-ol;methane
CID 158457269
(3R,5S)-5-[3-(naphthalen-2-ylmethyl)-3H-pyrrol-2-yl]pyrrolidin-3-ol
CID 169620051

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-[4-[4-[2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-3-ol?
The IUPAC name of (5S)-5-[4-[4-[4-[2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-3-ol (CID 58490517) is (5S)-5-[4-[4-[4-[2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (5S)-5-[4-[4-[4-[2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (5S)-5-[4-[4-[4-[2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-3-ol is OC1CN[C@H](C2=NC=C(c3ccc(-c4ccc(C5=CN=C([C@@H]6C[C@H](O)CN6)C5)cc4)cc3)C2)C1.
What is the InChIKey of (5S)-5-[4-[4-[4-[2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-3-ol?
The InChIKey is GZSVIVGHSBXQRD-SXWSDXSSSA-N. The full InChI is InChI=1S/C28H30N4O2/c33-23-11-27(31-15-23)25-9-21(13-29-25)19-5-1-17(2-6-19)18-3-7-20(8-4-18)22-10-26(30-14-22)28-12-24(34)16-32-28/h1-8,13-14,23-24,27-28,31-34H,9-12,15-16H2/t23-,24?,27-,28-/m0/s1.
What are the key properties of (5S)-5-[4-[4-[4-[2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-3-ol?
(5S)-5-[4-[4-[4-[2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-3-ol has a molecular weight of 454.57 g/mol, XLogP of 3.17, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-[4-[4-[2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 58490517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).