Avapritinib

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

C₂₆H₂₇FN₁₀ — CID 118023034

💊View drug profile → avapritinib

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

IUPAC(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine

SMILESCn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(N)c6ccc(F)cc6)cn5)CC4)ncnn3c2)cn1

InChIInChI=1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1

InChIKeyDWYRIWUZIJHQKQ-SANMLTNESA-N

MW498.57 g/mol

LogP2.61

Rot. Bonds5

About Avapritinib

Avapritinib (PubChem CID 118023034) has the molecular formula C₂₆H₂₇FN₁₀ and a molecular weight of 498.57 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name	Avapritinib
PubChem CID	118023034
Molecular Formula	C₂₆H₂₇FN₁₀
Molecular Weight	498.57 g/mol
Exact Mass	498.24
IUPAC Name	(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine
SMILES	Cn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(N)c6ccc(F)cc6)cn5)CC4)ncnn3c2)cn1
InChI	InChI=1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1
InChIKey	DWYRIWUZIJHQKQ-SANMLTNESA-N
XLogP	2.61
TPSA	106.29 Å²
H-Bond Donors	1
H-Bond Acceptors	10
Rotatable Bonds	5
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.57
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Avapritinib?

The IUPAC name of Avapritinib (CID 118023034) is (1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine.

What is the SMILES notation for Avapritinib?

The canonical SMILES for Avapritinib is Cn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(N)c6ccc(F)cc6)cn5)CC4)ncnn3c2)cn1.

What is the InChIKey of Avapritinib?

The InChIKey is DWYRIWUZIJHQKQ-SANMLTNESA-N. The full InChI is InChI=1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1.

What are the key properties of Avapritinib?

Avapritinib has a molecular weight of 498.57 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for Avapritinib is sourced from PubChem (CID 118023034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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

Sources

PubChem CID 118023034 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 5379 — approved-drug record (CC BY-SA 4.0)

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