(2R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(2,2,2-trifluoroethoxy)propanamide

C12H16F3N3O2 — CID 95139612

IUPAC(2R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@@H](OCC(F)(F)F)C(=O)N[C@@H]1CCc2nccn2C1
InChIInChI=1S/C12H16F3N3O2/c1-8(20-7-12(13,14)15)11(19)17-9-2-3-10-16-4-5-18(10)6-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,19)/t8-,9-/m1/s1
InChIKeyIRHWCUOWTXDWKD-RKDXNWHRSA-N
MW291.27 g/mol
LogP1.28
Rot. Bonds4

About (2R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(2,2,2-trifluoroethoxy)propanamide

(2R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 95139612) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is (2R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID95139612
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name(2R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@@H](OCC(F)(F)F)C(=O)N[C@@H]1CCc2nccn2C1
InChIInChI=1S/C12H16F3N3O2/c1-8(20-7-12(13,14)15)11(19)17-9-2-3-10-16-4-5-18(10)6-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,19)/t8-,9-/m1/s1
InChIKeyIRHWCUOWTXDWKD-RKDXNWHRSA-N
XLogP1.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 95139612) is (2R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(2,2,2-trifluoroethoxy)propanamide is C[C@@H](OCC(F)(F)F)C(=O)N[C@@H]1CCc2nccn2C1.
What is the InChIKey of (2R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is IRHWCUOWTXDWKD-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-8(20-7-12(13,14)15)11(19)17-9-2-3-10-16-4-5-18(10)6-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,19)/t8-,9-/m1/s1.
What are the key properties of (2R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
(2R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 291.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 95139612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).