[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone

C21H19F6N5O3 — CID 121439875

IUPAC[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
SMILESC[C@@H]1CC[C@@H](Oc2nccn3c(C(F)(F)F)cnc23)CN1C(=O)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C21H19F6N5O3/c1-12-4-5-13(35-18-16-30-9-15(21(25,26)27)31(16)8-7-29-18)10-32(12)19(33)14-3-2-6-28-17(14)34-11-20(22,23)24/h2-3,6-9,12-13H,4-5,10-11H2,1H3/t12-,13-/m1/s1
InChIKeyBZZPWDXPTWVWTG-CHWSQXEVSA-N
MW503.40 g/mol
LogP4.16
Rot. Bonds5

About [(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone

[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone (PubChem CID 121439875) has the molecular formula C21H19F6N5O3 and a molecular weight of 503.40 g/mol. Its IUPAC name is [(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
PubChem CID121439875
Molecular FormulaC21H19F6N5O3
Molecular Weight503.40 g/mol
Exact Mass503.14
IUPAC Name[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
SMILESC[C@@H]1CC[C@@H](Oc2nccn3c(C(F)(F)F)cnc23)CN1C(=O)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C21H19F6N5O3/c1-12-4-5-13(35-18-16-30-9-15(21(25,26)27)31(16)8-7-29-18)10-32(12)19(33)14-3-2-6-28-17(14)34-11-20(22,23)24/h2-3,6-9,12-13H,4-5,10-11H2,1H3/t12-,13-/m1/s1
InChIKeyBZZPWDXPTWVWTG-CHWSQXEVSA-N
XLogP4.16
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone with MolForge

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Related Compounds

2-((3R,4S)-3-Fluoro-1-(2-(4-(trifluoromethoxy)phenyl)acetyl)piperidin-4-yloxy)-5-(1-methyl-1H-imidazol-4-yl)nicotinamide
CID 118167692
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
CID 90286489
N-(5-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridine-8-carboxamide
CID 118103874
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone
CID 134144954
(12S)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 11485439
9-(2-Fluorophenyl)-N,N,2,3-tetramethyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 23729813
(12S)-12-(2-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 23730527
(12R)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 23730529
9-(4-Fluorophenyl)-N,N,2,3-tetramethyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 23730960
N-(6-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridine-8-carboxamide
CID 118103881
6-[(5-fluoro-3-pyridinyl)oxy]-N-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 118103886
6-[(5-fluoro-3-pyridinyl)oxy]-N-(5-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 118103892

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?
The IUPAC name of [(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone (CID 121439875) is [(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone.
What is the SMILES notation for [(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?
The canonical SMILES for [(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone is C[C@@H]1CC[C@@H](Oc2nccn3c(C(F)(F)F)cnc23)CN1C(=O)c1cccnc1OCC(F)(F)F.
What is the InChIKey of [(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?
The InChIKey is BZZPWDXPTWVWTG-CHWSQXEVSA-N. The full InChI is InChI=1S/C21H19F6N5O3/c1-12-4-5-13(35-18-16-30-9-15(21(25,26)27)31(16)8-7-29-18)10-32(12)19(33)14-3-2-6-28-17(14)34-11-20(22,23)24/h2-3,6-9,12-13H,4-5,10-11H2,1H3/t12-,13-/m1/s1.
What are the key properties of [(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?
[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone has a molecular weight of 503.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 121439875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).