cyclopropyl-pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanol

C20H16F3N3O3 — CID 118443681

IUPACcyclopropyl-pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanol
SMILESOC(c1cncnc1)(c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1)C1CC1
InChIInChI=1S/C20H16F3N3O3/c21-20(22,23)29-16-5-3-15(4-6-16)28-17-7-8-18(26-11-17)19(27,13-1-2-13)14-9-24-12-25-10-14/h3-13,27H,1-2H2
InChIKeyAECSWNDYXYGWSB-UHFFFAOYSA-N
MW403.36 g/mol
LogP4.21
Rot. Bonds6

About cyclopropyl-pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanol

cyclopropyl-pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanol (PubChem CID 118443681) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is cyclopropyl-pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanol.

Molecular Properties

Compound Namecyclopropyl-pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanol
PubChem CID118443681
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC Namecyclopropyl-pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanol
SMILESOC(c1cncnc1)(c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1)C1CC1
InChIInChI=1S/C20H16F3N3O3/c21-20(22,23)29-16-5-3-15(4-6-16)28-17-7-8-18(26-11-17)19(27,13-1-2-13)14-9-24-12-25-10-14/h3-13,27H,1-2H2
InChIKeyAECSWNDYXYGWSB-UHFFFAOYSA-N
XLogP4.21
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cyclopropyl-pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanol?
The IUPAC name of cyclopropyl-pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanol (CID 118443681) is cyclopropyl-pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanol.
What is the SMILES notation for cyclopropyl-pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanol?
The canonical SMILES for cyclopropyl-pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanol is OC(c1cncnc1)(c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1)C1CC1.
What is the InChIKey of cyclopropyl-pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanol?
The InChIKey is AECSWNDYXYGWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c21-20(22,23)29-16-5-3-15(4-6-16)28-17-7-8-18(26-11-17)19(27,13-1-2-13)14-9-24-12-25-10-14/h3-13,27H,1-2H2.
What are the key properties of cyclopropyl-pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanol?
cyclopropyl-pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanol has a molecular weight of 403.36 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-pyrimidin-5-yl-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanol is sourced from PubChem (CID 118443681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).