LFMJKUKQVYUFOI-SHTZXODSSA-N

Name: LFMJKUKQVYUFOI-SHTZXODSSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₁₉F₂N₅O₃ — CID 142421618

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

IUPAC3-[[3-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one

SMILESCc1ccnc2ncn(Cc3nc(C4CC(c5ccc(OC(F)F)cc5)C4)no3)c(=O)c12

InChIInChI=1S/C22H19F2N5O3/c1-12-6-7-25-20-18(12)21(30)29(11-26-20)10-17-27-19(28-32-17)15-8-14(9-15)13-2-4-16(5-3-13)31-22(23)24/h2-7,11,14-15,22H,8-10H2,1H3

InChIKeyLFMJKUKQVYUFOI-UHFFFAOYSA-N

MW439.42 g/mol

LogP3.79

Rot. Bonds6

About LFMJKUKQVYUFOI-SHTZXODSSA-N

LFMJKUKQVYUFOI-SHTZXODSSA-N (PubChem CID 142421618) has the molecular formula C₂₂H₁₉F₂N₅O₃ and a molecular weight of 439.42 g/mol. Its IUPAC name is 3-[[3-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name	LFMJKUKQVYUFOI-SHTZXODSSA-N
PubChem CID	142421618
Molecular Formula	C₂₂H₁₉F₂N₅O₃
Molecular Weight	439.42 g/mol
Exact Mass	439.15
IUPAC Name	3-[[3-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one
SMILES	Cc1ccnc2ncn(Cc3nc(C4CC(c5ccc(OC(F)F)cc5)C4)no3)c(=O)c12
InChI	InChI=1S/C22H19F2N5O3/c1-12-6-7-25-20-18(12)21(30)29(11-26-20)10-17-27-19(28-32-17)15-8-14(9-15)13-2-4-16(5-3-13)31-22(23)24/h2-7,11,14-15,22H,8-10H2,1H3
InChIKey	LFMJKUKQVYUFOI-UHFFFAOYSA-N
XLogP	3.79
TPSA	95.93 Å²
H-Bond Donors
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.42
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of LFMJKUKQVYUFOI-SHTZXODSSA-N?

The IUPAC name of LFMJKUKQVYUFOI-SHTZXODSSA-N (CID 142421618) is 3-[[3-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one.

What is the SMILES notation for LFMJKUKQVYUFOI-SHTZXODSSA-N?

The canonical SMILES for LFMJKUKQVYUFOI-SHTZXODSSA-N is Cc1ccnc2ncn(Cc3nc(C4CC(c5ccc(OC(F)F)cc5)C4)no3)c(=O)c12.

What is the InChIKey of LFMJKUKQVYUFOI-SHTZXODSSA-N?

The InChIKey is LFMJKUKQVYUFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O3/c1-12-6-7-25-20-18(12)21(30)29(11-26-20)10-17-27-19(28-32-17)15-8-14(9-15)13-2-4-16(5-3-13)31-22(23)24/h2-7,11,14-15,22H,8-10H2,1H3.

What are the key properties of LFMJKUKQVYUFOI-SHTZXODSSA-N?

LFMJKUKQVYUFOI-SHTZXODSSA-N has a molecular weight of 439.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for LFMJKUKQVYUFOI-SHTZXODSSA-N is sourced from PubChem (CID 142421618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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

Sources

PubChem CID 142421618 — identifiers, structure, computed properties (public domain)

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