[1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol

C20H19F3N8O — CID 139344871

IUPAC[1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol
SMILESOCc1cn(C2CCCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C2)nn1
InChIInChI=1S/C20H19F3N8O/c21-20(22,23)13-3-4-17-25-8-16(30(17)9-13)19-24-6-5-18(26-19)29-7-1-2-15(11-29)31-10-14(12-32)27-28-31/h3-6,8-10,15,32H,1-2,7,11-12H2
InChIKeyOBAZFMGIELFBEF-UHFFFAOYSA-N
MW444.42 g/mol
LogP2.74
Rot. Bonds4

About [1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol

[1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol (PubChem CID 139344871) has the molecular formula C20H19F3N8O and a molecular weight of 444.42 g/mol. Its IUPAC name is [1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol
PubChem CID139344871
Molecular FormulaC20H19F3N8O
Molecular Weight444.42 g/mol
Exact Mass444.16
IUPAC Name[1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol
SMILESOCc1cn(C2CCCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C2)nn1
InChIInChI=1S/C20H19F3N8O/c21-20(22,23)13-3-4-17-25-8-16(30(17)9-13)19-24-6-5-18(26-19)29-7-1-2-15(11-29)31-10-14(12-32)27-28-31/h3-6,8-10,15,32H,1-2,7,11-12H2
InChIKeyOBAZFMGIELFBEF-UHFFFAOYSA-N
XLogP2.74
TPSA97.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]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 [1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol?
The IUPAC name of [1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol (CID 139344871) is [1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol?
The canonical SMILES for [1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol is OCc1cn(C2CCCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C2)nn1.
What is the InChIKey of [1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol?
The InChIKey is OBAZFMGIELFBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N8O/c21-20(22,23)13-3-4-17-25-8-16(30(17)9-13)19-24-6-5-18(26-19)29-7-1-2-15(11-29)31-10-14(12-32)27-28-31/h3-6,8-10,15,32H,1-2,7,11-12H2.
What are the key properties of [1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol?
[1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol has a molecular weight of 444.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol is sourced from PubChem (CID 139344871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).