3-methyl-5-[1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-1,2,4-oxadiazole

C20H19F3N8O — CID 139344805

IUPAC3-methyl-5-[1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2CN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CCN2C)n1
InChIInChI=1S/C20H19F3N8O/c1-12-26-19(32-28-12)15-11-30(8-7-29(15)2)17-5-6-24-18(27-17)14-9-25-16-4-3-13(10-31(14)16)20(21,22)23/h3-6,9-10,15H,7-8,11H2,1-2H3
InChIKeyMXYOSDACQRCBGP-UHFFFAOYSA-N
MW444.42 g/mol
LogP2.99
Rot. Bonds3

About 3-methyl-5-[1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-1,2,4-oxadiazole

3-methyl-5-[1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-1,2,4-oxadiazole (PubChem CID 139344805) has the molecular formula C20H19F3N8O and a molecular weight of 444.42 g/mol. Its IUPAC name is 3-methyl-5-[1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-1,2,4-oxadiazole
PubChem CID139344805
Molecular FormulaC20H19F3N8O
Molecular Weight444.42 g/mol
Exact Mass444.16
IUPAC Name3-methyl-5-[1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2CN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CCN2C)n1
InChIInChI=1S/C20H19F3N8O/c1-12-26-19(32-28-12)15-11-30(8-7-29(15)2)17-5-6-24-18(27-17)14-9-25-16-4-3-13(10-31(14)16)20(21,22)23/h3-6,9-10,15H,7-8,11H2,1-2H3
InChIKeyMXYOSDACQRCBGP-UHFFFAOYSA-N
XLogP2.99
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-1,2,4-oxadiazole (CID 139344805) is 3-methyl-5-[1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-1,2,4-oxadiazole is Cc1noc(C2CN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CCN2C)n1.
What is the InChIKey of 3-methyl-5-[1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-1,2,4-oxadiazole?
The InChIKey is MXYOSDACQRCBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N8O/c1-12-26-19(32-28-12)15-11-30(8-7-29(15)2)17-5-6-24-18(27-17)14-9-25-16-4-3-13(10-31(14)16)20(21,22)23/h3-6,9-10,15H,7-8,11H2,1-2H3.
What are the key properties of 3-methyl-5-[1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-1,2,4-oxadiazole?
3-methyl-5-[1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-1,2,4-oxadiazole has a molecular weight of 444.42 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 139344805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).