GIODNVPXVKMCTG-UHFFFAOYSA-N

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

C₂₂H₁₈ClF₃N₄S — CID 18001424

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

IUPAC6-[2-chloro-4-(trifluoromethyl)phenyl]-9-[cyclopropyl(thiophen-2-yl)methyl]-8-ethylpurine

SMILESCCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)ncnc2n1C(c1cccs1)C1CC1

InChIInChI=1S/C22H18ClF3N4S/c1-2-17-29-19-18(14-8-7-13(10-15(14)23)22(24,25)26)27-11-28-21(19)30(17)20(12-5-6-12)16-4-3-9-31-16/h3-4,7-12,20H,2,5-6H2,1H3

InChIKeyGIODNVPXVKMCTG-UHFFFAOYSA-N

MW462.93 g/mol

LogP6.79

Rot. Bonds5

About GIODNVPXVKMCTG-UHFFFAOYSA-N

GIODNVPXVKMCTG-UHFFFAOYSA-N (PubChem CID 18001424) has the molecular formula C₂₂H₁₈ClF₃N₄S and a molecular weight of 462.93 g/mol. Its IUPAC name is 6-[2-chloro-4-(trifluoromethyl)phenyl]-9-[cyclopropyl(thiophen-2-yl)methyl]-8-ethylpurine.

Molecular Properties

Compound Name	GIODNVPXVKMCTG-UHFFFAOYSA-N
PubChem CID	18001424
Molecular Formula	C₂₂H₁₈ClF₃N₄S
Molecular Weight	462.93 g/mol
Exact Mass	462.09
IUPAC Name	6-[2-chloro-4-(trifluoromethyl)phenyl]-9-[cyclopropyl(thiophen-2-yl)methyl]-8-ethylpurine
SMILES	CCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)ncnc2n1C(c1cccs1)C1CC1
InChI	InChI=1S/C22H18ClF3N4S/c1-2-17-29-19-18(14-8-7-13(10-15(14)23)22(24,25)26)27-11-28-21(19)30(17)20(12-5-6-12)16-4-3-9-31-16/h3-4,7-12,20H,2,5-6H2,1H3
InChIKey	GIODNVPXVKMCTG-UHFFFAOYSA-N
XLogP	6.79
TPSA	43.60 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.93
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of GIODNVPXVKMCTG-UHFFFAOYSA-N?

The IUPAC name of GIODNVPXVKMCTG-UHFFFAOYSA-N (CID 18001424) is 6-[2-chloro-4-(trifluoromethyl)phenyl]-9-[cyclopropyl(thiophen-2-yl)methyl]-8-ethylpurine.

What is the SMILES notation for GIODNVPXVKMCTG-UHFFFAOYSA-N?

The canonical SMILES for GIODNVPXVKMCTG-UHFFFAOYSA-N is CCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)ncnc2n1C(c1cccs1)C1CC1.

What is the InChIKey of GIODNVPXVKMCTG-UHFFFAOYSA-N?

The InChIKey is GIODNVPXVKMCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N4S/c1-2-17-29-19-18(14-8-7-13(10-15(14)23)22(24,25)26)27-11-28-21(19)30(17)20(12-5-6-12)16-4-3-9-31-16/h3-4,7-12,20H,2,5-6H2,1H3.

What are the key properties of GIODNVPXVKMCTG-UHFFFAOYSA-N?

GIODNVPXVKMCTG-UHFFFAOYSA-N has a molecular weight of 462.93 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for GIODNVPXVKMCTG-UHFFFAOYSA-N is sourced from PubChem (CID 18001424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 18001424 — identifiers, structure, computed properties (public domain)

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