Bictegravir

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

C₂₁H₁₈F₃N₃O₅ — CID 90311989

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

IUPAC(1S,11R,13R)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide

SMILESO=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@H]3CC[C@H](C3)O[C@@H]1C2

InChIInChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1

InChIKeySOLUWJRYJLAZCX-LYOVBCGYSA-N

MW449.39 g/mol

LogP1.63

Rot. Bonds3

About Bictegravir

Bictegravir (PubChem CID 90311989) has the molecular formula C₂₁H₁₈F₃N₃O₅ and a molecular weight of 449.39 g/mol. Its IUPAC name is (1S,11R,13R)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide.

Molecular Properties

Compound Name	Bictegravir
PubChem CID	90311989
Molecular Formula	C₂₁H₁₈F₃N₃O₅
Molecular Weight	449.39 g/mol
Exact Mass	449.12
IUPAC Name	(1S,11R,13R)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide
SMILES	O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@H]3CC[C@H](C3)O[C@@H]1C2
InChI	InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1
InChIKey	SOLUWJRYJLAZCX-LYOVBCGYSA-N
XLogP	1.63
TPSA	100.87 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.39
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Bictegravir?

The IUPAC name of Bictegravir (CID 90311989) is (1S,11R,13R)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide.

What is the SMILES notation for Bictegravir?

The canonical SMILES for Bictegravir is O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@H]3CC[C@H](C3)O[C@@H]1C2.

What is the InChIKey of Bictegravir?

The InChIKey is SOLUWJRYJLAZCX-LYOVBCGYSA-N. The full InChI is InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1.

What are the key properties of Bictegravir?

Bictegravir has a molecular weight of 449.39 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Bictegravir is sourced from PubChem (CID 90311989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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

Sources

PubChem CID 90311989 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 5274 — approved-drug record (CC BY-SA 4.0)

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