Letermovir

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

C₂₉H₂₈F₄N₄O₄ — CID 45138674

💊View drug profile → letermovir

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

IUPAC2-[(4S)-8-fluoro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]acetic acid

SMILESCOc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1

InChIInChI=1S/C29H28F4N4O4/c1-40-20-6-3-5-19(16-20)35-11-13-36(14-12-35)28-34-27-21(7-4-8-22(27)30)23(17-26(38)39)37(28)24-15-18(29(31,32)33)9-10-25(24)41-2/h3-10,15-16,23H,11-14,17H2,1-2H3,(H,38,39)/t23-/m0/s1

InChIKeyFWYSMLBETOMXAG-QHCPKHFHSA-N

MW572.56 g/mol

LogP5.71

Rot. Bonds6

About Letermovir

Letermovir (PubChem CID 45138674) has the molecular formula C₂₉H₂₈F₄N₄O₄ and a molecular weight of 572.56 g/mol. Its IUPAC name is 2-[(4S)-8-fluoro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]acetic acid.

Molecular Properties

Compound Name	Letermovir
PubChem CID	45138674
Molecular Formula	C₂₉H₂₈F₄N₄O₄
Molecular Weight	572.56 g/mol
Exact Mass	572.20
IUPAC Name	2-[(4S)-8-fluoro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]acetic acid
SMILES	COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1
InChI	InChI=1S/C29H28F4N4O4/c1-40-20-6-3-5-19(16-20)35-11-13-36(14-12-35)28-34-27-21(7-4-8-22(27)30)23(17-26(38)39)37(28)24-15-18(29(31,32)33)9-10-25(24)41-2/h3-10,15-16,23H,11-14,17H2,1-2H3,(H,38,39)/t23-/m0/s1
InChIKey	FWYSMLBETOMXAG-QHCPKHFHSA-N
XLogP	5.71
TPSA	77.84 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.56
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Letermovir?

The IUPAC name of Letermovir (CID 45138674) is 2-[(4S)-8-fluoro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]acetic acid.

What is the SMILES notation for Letermovir?

The canonical SMILES for Letermovir is COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1.

What is the InChIKey of Letermovir?

The InChIKey is FWYSMLBETOMXAG-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H28F4N4O4/c1-40-20-6-3-5-19(16-20)35-11-13-36(14-12-35)28-34-27-21(7-4-8-22(27)30)23(17-26(38)39)37(28)24-15-18(29(31,32)33)9-10-25(24)41-2/h3-10,15-16,23H,11-14,17H2,1-2H3,(H,38,39)/t23-/m0/s1.

What are the key properties of Letermovir?

Letermovir has a molecular weight of 572.56 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Letermovir is sourced from PubChem (CID 45138674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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

Sources

PubChem CID 45138674 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 5262 — approved-drug record (CC BY-SA 4.0)

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