Zuranolone

Name: Zuranolone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₅H₃₅N₃O₂ — CID 86294073

💊View drug profile → zuranolone

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile

SMILESC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)Cn4cc(C#N)cn4)CC[C@@H]32)C1

InChIInChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1

InChIKeyHARRKNSQXBRBGZ-GVKWWOCJSA-N

MW409.57 g/mol

LogP4.34

Rot. Bonds3

About Zuranolone

Zuranolone (PubChem CID 86294073) has the molecular formula C₂₅H₃₅N₃O₂ and a molecular weight of 409.57 g/mol. Its IUPAC name is 1-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name	Zuranolone
PubChem CID	86294073
Molecular Formula	C₂₅H₃₅N₃O₂
Molecular Weight	409.57 g/mol
Exact Mass	409.27
IUPAC Name	1-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile
SMILES	C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)Cn4cc(C#N)cn4)CC[C@@H]32)C1
InChI	InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1
InChIKey	HARRKNSQXBRBGZ-GVKWWOCJSA-N
XLogP	4.34
TPSA	78.91 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	3
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.57
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Zuranolone?

The IUPAC name of Zuranolone (CID 86294073) is 1-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile.

What is the SMILES notation for Zuranolone?

The canonical SMILES for Zuranolone is C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)Cn4cc(C#N)cn4)CC[C@@H]32)C1.

What is the InChIKey of Zuranolone?

The InChIKey is HARRKNSQXBRBGZ-GVKWWOCJSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1.

What are the key properties of Zuranolone?

Zuranolone has a molecular weight of 409.57 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Zuranolone is sourced from PubChem (CID 86294073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 86294073 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 5738 — approved-drug record (CC BY-SA 4.0)

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