4-[2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine

C16H17F3N6O — CID 67434438

IUPAC4-[2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCc1nc2c(N3CCOCC3)nccn2c1-c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C16H17F3N6O/c1-11-13(12-8-21-24(9-12)10-16(17,18)19)25-3-2-20-14(15(25)22-11)23-4-6-26-7-5-23/h2-3,8-9H,4-7,10H2,1H3
InChIKeyWGEADVUGDMYSLY-UHFFFAOYSA-N
MW366.35 g/mol
LogP2.30
Rot. Bonds3

About 4-[2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine

4-[2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 67434438) has the molecular formula C16H17F3N6O and a molecular weight of 366.35 g/mol. Its IUPAC name is 4-[2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID67434438
Molecular FormulaC16H17F3N6O
Molecular Weight366.35 g/mol
Exact Mass366.14
IUPAC Name4-[2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCc1nc2c(N3CCOCC3)nccn2c1-c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C16H17F3N6O/c1-11-13(12-8-21-24(9-12)10-16(17,18)19)25-3-2-20-14(15(25)22-11)23-4-6-26-7-5-23/h2-3,8-9H,4-7,10H2,1H3
InChIKeyWGEADVUGDMYSLY-UHFFFAOYSA-N
XLogP2.30
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 67434438) is 4-[2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine is Cc1nc2c(N3CCOCC3)nccn2c1-c1cnn(CC(F)(F)F)c1.
What is the InChIKey of 4-[2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is WGEADVUGDMYSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6O/c1-11-13(12-8-21-24(9-12)10-16(17,18)19)25-3-2-20-14(15(25)22-11)23-4-6-26-7-5-23/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of 4-[2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 366.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 67434438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).