Tezacaftor

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

C₂₆H₂₇F₃N₂O₆ — CID 46199646

💊View drug profile → tezacaftor

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

IUPAC1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide

SMILESCC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO

InChIInChI=1S/C26H27F3N2O6/c1-24(2,13-33)22-8-14-7-18(17(27)10-19(14)31(22)11-16(34)12-32)30-23(35)25(5-6-25)15-3-4-20-21(9-15)37-26(28,29)36-20/h3-4,7-10,16,32-34H,5-6,11-13H2,1-2H3,(H,30,35)/t16-/m1/s1

InChIKeyMJUVRTYWUMPBTR-MRXNPFEDSA-N

MW520.50 g/mol

LogP3.40

Rot. Bonds8

About Tezacaftor

Tezacaftor (PubChem CID 46199646) has the molecular formula C₂₆H₂₇F₃N₂O₆ and a molecular weight of 520.50 g/mol. Its IUPAC name is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name	Tezacaftor
PubChem CID	46199646
Molecular Formula	C₂₆H₂₇F₃N₂O₆
Molecular Weight	520.50 g/mol
Exact Mass	520.18
IUPAC Name	1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide
SMILES	CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO
InChI	InChI=1S/C26H27F3N2O6/c1-24(2,13-33)22-8-14-7-18(17(27)10-19(14)31(22)11-16(34)12-32)30-23(35)25(5-6-25)15-3-4-20-21(9-15)37-26(28,29)36-20/h3-4,7-10,16,32-34H,5-6,11-13H2,1-2H3,(H,30,35)/t16-/m1/s1
InChIKey	MJUVRTYWUMPBTR-MRXNPFEDSA-N
XLogP	3.40
TPSA	113.18 Å²
H-Bond Donors	4
H-Bond Acceptors	7
Rotatable Bonds	8
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.50
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Tezacaftor?

The IUPAC name of Tezacaftor (CID 46199646) is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for Tezacaftor?

The canonical SMILES for Tezacaftor is CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO.

What is the InChIKey of Tezacaftor?

The InChIKey is MJUVRTYWUMPBTR-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H27F3N2O6/c1-24(2,13-33)22-8-14-7-18(17(27)10-19(14)31(22)11-16(34)12-32)30-23(35)25(5-6-25)15-3-4-20-21(9-15)37-26(28,29)36-20/h3-4,7-10,16,32-34H,5-6,11-13H2,1-2H3,(H,30,35)/t16-/m1/s1.

What are the key properties of Tezacaftor?

Tezacaftor has a molecular weight of 520.50 g/mol, XLogP of 3.40, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Tezacaftor is sourced from PubChem (CID 46199646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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

Sources

PubChem CID 46199646 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 5276 — approved-drug record (CC BY-SA 4.0)

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