Nirogacestat

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

C₂₇H₄₁F₂N₅O — CID 46224413

💊View drug profile → nirogacestat

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

IUPAC(2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide

SMILESCCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1

InChIInChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1

InChIKeyVFCRKLWBYMDAED-REWPJTCUSA-N

MW489.66 g/mol

LogP4.79

Rot. Bonds10

About Nirogacestat

Nirogacestat (PubChem CID 46224413) has the molecular formula C₂₇H₄₁F₂N₅O and a molecular weight of 489.66 g/mol. Its IUPAC name is (2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide.

Molecular Properties

Compound Name	Nirogacestat
PubChem CID	46224413
Molecular Formula	C₂₇H₄₁F₂N₅O
Molecular Weight	489.66 g/mol
Exact Mass	489.33
IUPAC Name	(2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide
SMILES	CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1
InChI	InChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1
InChIKey	VFCRKLWBYMDAED-REWPJTCUSA-N
XLogP	4.79
TPSA	70.98 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	10
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.66
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Nirogacestat?

The IUPAC name of Nirogacestat (CID 46224413) is (2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide.

What is the SMILES notation for Nirogacestat?

The canonical SMILES for Nirogacestat is CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1.

What is the InChIKey of Nirogacestat?

The InChIKey is VFCRKLWBYMDAED-REWPJTCUSA-N. The full InChI is InChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1.

What are the key properties of Nirogacestat?

Nirogacestat has a molecular weight of 489.66 g/mol, XLogP of 4.79, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Nirogacestat is sourced from PubChem (CID 46224413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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

Sources

PubChem CID 46224413 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 5753 — approved-drug record (CC BY-SA 4.0)

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