Vanzacaftor

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

C₃₂H₃₉N₇O₄S — CID 139399801

💊View drug profile → vanzacaftor

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

IUPAC(14S)-8-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one

SMILESCC1(C)C[C@@H]2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5C6(CC6)C56CC6)n4)nc3N1C2

InChIInChI=1S/C32H39N7O4S/c1-30(2)19-21-5-4-16-33-24-6-3-7-27(34-24)44(41,42)37-29(40)22-8-9-25(35-28(22)38(30)20-21)39-17-10-26(36-39)43-18-11-23-31(12-13-31)32(23)14-15-32/h3,6-10,17,21,23H,4-5,11-16,18-20H2,1-2H3,(H,33,34)(H,37,40)/t21-/m0/s1

InChIKeyVCSUIBJKYCVWNF-NRFANRHFSA-N

MW617.78 g/mol

LogP4.55

Rot. Bonds5

About Vanzacaftor

Vanzacaftor (PubChem CID 139399801) has the molecular formula C₃₂H₃₉N₇O₄S and a molecular weight of 617.78 g/mol. Its IUPAC name is (14S)-8-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one.

Molecular Properties

Compound Name	Vanzacaftor
PubChem CID	139399801
Molecular Formula	C₃₂H₃₉N₇O₄S
Molecular Weight	617.78 g/mol
Exact Mass	617.28
IUPAC Name	(14S)-8-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one
SMILES	CC1(C)C[C@@H]2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5C6(CC6)C56CC6)n4)nc3N1C2
InChI	InChI=1S/C32H39N7O4S/c1-30(2)19-21-5-4-16-33-24-6-3-7-27(34-24)44(41,42)37-29(40)22-8-9-25(35-28(22)38(30)20-21)39-17-10-26(36-39)43-18-11-23-31(12-13-31)32(23)14-15-32/h3,6-10,17,21,23H,4-5,11-16,18-20H2,1-2H3,(H,33,34)(H,37,40)/t21-/m0/s1
InChIKey	VCSUIBJKYCVWNF-NRFANRHFSA-N
XLogP	4.55
TPSA	131.34 Å²
H-Bond Donors	2
H-Bond Acceptors	10
Rotatable Bonds	5
Heavy Atoms	44
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	617.78
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Vanzacaftor?

The IUPAC name of Vanzacaftor (CID 139399801) is (14S)-8-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one.

What is the SMILES notation for Vanzacaftor?

The canonical SMILES for Vanzacaftor is CC1(C)C[C@@H]2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5C6(CC6)C56CC6)n4)nc3N1C2.

What is the InChIKey of Vanzacaftor?

The InChIKey is VCSUIBJKYCVWNF-NRFANRHFSA-N. The full InChI is InChI=1S/C32H39N7O4S/c1-30(2)19-21-5-4-16-33-24-6-3-7-27(34-24)44(41,42)37-29(40)22-8-9-25(35-28(22)38(30)20-21)39-17-10-26(36-39)43-18-11-23-31(12-13-31)32(23)14-15-32/h3,6-10,17,21,23H,4-5,11-16,18-20H2,1-2H3,(H,33,34)(H,37,40)/t21-/m0/s1.

What are the key properties of Vanzacaftor?

Vanzacaftor has a molecular weight of 617.78 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for Vanzacaftor is sourced from PubChem (CID 139399801), 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 139399801 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 5847 — approved-drug record (CC BY-SA 4.0)

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