4-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-(trifluoromethyl)benzonitrile

C25H24F3N5O2 — CID 146583635

IUPAC4-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-(trifluoromethyl)benzonitrile
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@H]1Cc1ccc(-c2ccc(C#N)cc2C(F)(F)F)c2nccn12
InChIInChI=1S/C25H24F3N5O2/c1-14(2)21-24(35-4)31-20(23(32-21)34-3)12-16-6-8-18(22-30-9-10-33(16)22)17-7-5-15(13-29)11-19(17)25(26,27)28/h5-11,14,20-21H,12H2,1-4H3/t20-,21+/m0/s1
InChIKeyOBMIEQFSPZXYGH-LEWJYISDSA-N
MW483.49 g/mol
LogP4.93
Rot. Bonds4

About 4-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-(trifluoromethyl)benzonitrile

4-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-(trifluoromethyl)benzonitrile (PubChem CID 146583635) has the molecular formula C25H24F3N5O2 and a molecular weight of 483.49 g/mol. Its IUPAC name is 4-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-(trifluoromethyl)benzonitrile
PubChem CID146583635
Molecular FormulaC25H24F3N5O2
Molecular Weight483.49 g/mol
Exact Mass483.19
IUPAC Name4-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-(trifluoromethyl)benzonitrile
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@H]1Cc1ccc(-c2ccc(C#N)cc2C(F)(F)F)c2nccn12
InChIInChI=1S/C25H24F3N5O2/c1-14(2)21-24(35-4)31-20(23(32-21)34-3)12-16-6-8-18(22-30-9-10-33(16)22)17-7-5-15(13-29)11-19(17)25(26,27)28/h5-11,14,20-21H,12H2,1-4H3/t20-,21+/m0/s1
InChIKeyOBMIEQFSPZXYGH-LEWJYISDSA-N
XLogP4.93
TPSA84.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-(trifluoromethyl)benzonitrile with MolForge

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Related Compounds

TP003
CID 10001434
3-(7-Trifluoromethylimidazo[1,2-a]pyrimidin-3-yl)biphenyl-2-carbonitrile
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CID 10000391
3-(7-Methylimidazo[1,2-a]pyridin-3-yl)biphenyl-2-carbonitrile
CID 9857825
7-(4-Phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
CID 58103861
4-[3-[5-(2-Methoxyethyl)-2-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67413438
4-[3-[6-(2-Methoxyethyl)pyridin-3-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67424835
4-[3-[6-(3-Methoxypropyl)-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67425294
4-[3-[6-(2-Methoxyethyl)pyridin-3-yl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67425963
7-[1-(Oxan-4-yl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
CID 46215708
7-(4-Tert-butylphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
CID 46227795
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CID 70696402

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-(trifluoromethyl)benzonitrile (CID 146583635) is 4-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-(trifluoromethyl)benzonitrile is COC1=N[C@H](C(C)C)C(OC)=N[C@H]1Cc1ccc(-c2ccc(C#N)cc2C(F)(F)F)c2nccn12.
What is the InChIKey of 4-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-(trifluoromethyl)benzonitrile?
The InChIKey is OBMIEQFSPZXYGH-LEWJYISDSA-N. The full InChI is InChI=1S/C25H24F3N5O2/c1-14(2)21-24(35-4)31-20(23(32-21)34-3)12-16-6-8-18(22-30-9-10-33(16)22)17-7-5-15(13-29)11-19(17)25(26,27)28/h5-11,14,20-21H,12H2,1-4H3/t20-,21+/m0/s1.
What are the key properties of 4-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-(trifluoromethyl)benzonitrile?
4-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-(trifluoromethyl)benzonitrile has a molecular weight of 483.49 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 146583635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).