[(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone

C21H21F5N6O2 — CID 154732926

IUPAC[(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone
SMILESC[C@@H]1CC[C@@H](Oc2nccn3c(C(F)F)cnc23)CN1C(=O)c1cccnc1NCC(F)(F)F
InChIInChI=1S/C21H21F5N6O2/c1-12-4-5-13(34-19-18-29-9-15(16(22)23)31(18)8-7-28-19)10-32(12)20(33)14-3-2-6-27-17(14)30-11-21(24,25)26/h2-3,6-9,12-13,16H,4-5,10-11H2,1H3,(H,27,30)/t12-,13-/m1/s1
InChIKeyYIPVYUSDYSQSIL-CHWSQXEVSA-N
MW484.43 g/mol
LogP4.11
Rot. Bonds6

About [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone

[(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone (PubChem CID 154732926) has the molecular formula C21H21F5N6O2 and a molecular weight of 484.43 g/mol. Its IUPAC name is [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone
PubChem CID154732926
Molecular FormulaC21H21F5N6O2
Molecular Weight484.43 g/mol
Exact Mass484.16
IUPAC Name[(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone
SMILESC[C@@H]1CC[C@@H](Oc2nccn3c(C(F)F)cnc23)CN1C(=O)c1cccnc1NCC(F)(F)F
InChIInChI=1S/C21H21F5N6O2/c1-12-4-5-13(34-19-18-29-9-15(16(22)23)31(18)8-7-28-19)10-32(12)20(33)14-3-2-6-27-17(14)30-11-21(24,25)26/h2-3,6-9,12-13,16H,4-5,10-11H2,1H3,(H,27,30)/t12-,13-/m1/s1
InChIKeyYIPVYUSDYSQSIL-CHWSQXEVSA-N
XLogP4.11
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone?
The IUPAC name of [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone (CID 154732926) is [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone?
The canonical SMILES for [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone is C[C@@H]1CC[C@@H](Oc2nccn3c(C(F)F)cnc23)CN1C(=O)c1cccnc1NCC(F)(F)F.
What is the InChIKey of [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone?
The InChIKey is YIPVYUSDYSQSIL-CHWSQXEVSA-N. The full InChI is InChI=1S/C21H21F5N6O2/c1-12-4-5-13(34-19-18-29-9-15(16(22)23)31(18)8-7-28-19)10-32(12)20(33)14-3-2-6-27-17(14)30-11-21(24,25)26/h2-3,6-9,12-13,16H,4-5,10-11H2,1H3,(H,27,30)/t12-,13-/m1/s1.
What are the key properties of [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone?
[(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone has a molecular weight of 484.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-[3-(difluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxy-2-methylpiperidin-1-yl]-[2-(2,2,2-trifluoroethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 154732926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).