N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

C16H22F3N5O — CID 129341485

IUPACN-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCC(C)c1nnc(CN(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)o1
InChIInChI=1S/C16H22F3N5O/c1-10(2)15-22-21-14(25-15)9-23(3)6-11-4-5-13-20-12(16(17,18)19)8-24(13)7-11/h8,10-11H,4-7,9H2,1-3H3/t11-/m1/s1
InChIKeyRLPCRHGOZGEQQW-LLVKDONJSA-N
MW357.38 g/mol
LogP3.10
Rot. Bonds5

About N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 129341485) has the molecular formula C16H22F3N5O and a molecular weight of 357.38 g/mol. Its IUPAC name is N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID129341485
Molecular FormulaC16H22F3N5O
Molecular Weight357.38 g/mol
Exact Mass357.18
IUPAC NameN-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCC(C)c1nnc(CN(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)o1
InChIInChI=1S/C16H22F3N5O/c1-10(2)15-22-21-14(25-15)9-23(3)6-11-4-5-13-20-12(16(17,18)19)8-24(13)7-11/h8,10-11H,4-7,9H2,1-3H3/t11-/m1/s1
InChIKeyRLPCRHGOZGEQQW-LLVKDONJSA-N
XLogP3.10
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129331629
N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129342526
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 154759156
6-methyl-2-[[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]pyridin-3-ol
CID 129343143
N-methyl-5-propan-2-yl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-oxazole-3-carboxamide
CID 129332582
N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129332902
N-methyl-5-propan-2-yl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-oxazole-3-carboxamide
CID 128970412
(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
N-[2-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethyl]ethanesulfonamide
CID 128966881
2-N-methyl-2-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]furan-2,5-dicarboxamide
CID 129333834
1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-phenylpropan-2-ol
CID 128972822
2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 129338421

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 129341485) is N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is CC(C)c1nnc(CN(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)o1.
What is the InChIKey of N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is RLPCRHGOZGEQQW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22F3N5O/c1-10(2)15-22-21-14(25-15)9-23(3)6-11-4-5-13-20-12(16(17,18)19)8-24(13)7-11/h8,10-11H,4-7,9H2,1-3H3/t11-/m1/s1.
What are the key properties of N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 357.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 129341485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).