(3S)-3-[2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethyl]oxolan-2-one

C16H22F3N3O2 — CID 129330736

IUPAC(3S)-3-[2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethyl]oxolan-2-one
SMILESCN(CC[C@H]1CCOC1=O)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C16H22F3N3O2/c1-21(6-4-12-5-7-24-15(12)23)8-11-2-3-14-20-13(16(17,18)19)10-22(14)9-11/h10-12H,2-9H2,1H3/t11-,12-/m0/s1
InChIKeyBCWLEJRKNMMKNN-RYUDHWBXSA-N
MW345.37 g/mol
LogP2.35
Rot. Bonds5

About (3S)-3-[2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethyl]oxolan-2-one

(3S)-3-[2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethyl]oxolan-2-one (PubChem CID 129330736) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is (3S)-3-[2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethyl]oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-[2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethyl]oxolan-2-one
PubChem CID129330736
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name(3S)-3-[2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethyl]oxolan-2-one
SMILESCN(CC[C@H]1CCOC1=O)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C16H22F3N3O2/c1-21(6-4-12-5-7-24-15(12)23)8-11-2-3-14-20-13(16(17,18)19)10-22(14)9-11/h10-12H,2-9H2,1H3/t11-,12-/m0/s1
InChIKeyBCWLEJRKNMMKNN-RYUDHWBXSA-N
XLogP2.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethyl]oxolan-2-one?
The IUPAC name of (3S)-3-[2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethyl]oxolan-2-one (CID 129330736) is (3S)-3-[2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethyl]oxolan-2-one.
What is the SMILES notation for (3S)-3-[2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethyl]oxolan-2-one?
The canonical SMILES for (3S)-3-[2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethyl]oxolan-2-one is CN(CC[C@H]1CCOC1=O)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of (3S)-3-[2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethyl]oxolan-2-one?
The InChIKey is BCWLEJRKNMMKNN-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-21(6-4-12-5-7-24-15(12)23)8-11-2-3-14-20-13(16(17,18)19)10-22(14)9-11/h10-12H,2-9H2,1H3/t11-,12-/m0/s1.
What are the key properties of (3S)-3-[2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethyl]oxolan-2-one?
(3S)-3-[2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethyl]oxolan-2-one has a molecular weight of 345.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethyl]oxolan-2-one is sourced from PubChem (CID 129330736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).