N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

C17H21F3N4O — CID 129332902

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCOc1ccc(CN(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)cn1
InChIInChI=1S/C17H21F3N4O/c1-23(8-12-4-6-16(25-2)21-7-12)9-13-3-5-15-22-14(17(18,19)20)11-24(15)10-13/h4,6-7,11,13H,3,5,8-10H2,1-2H3/t13-/m0/s1
InChIKeyDWUCGGVAZBEAMN-ZDUSSCGKSA-N
MW354.38 g/mol
LogP3.00
Rot. Bonds5

About N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 129332902) has the molecular formula C17H21F3N4O and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID129332902
Molecular FormulaC17H21F3N4O
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCOc1ccc(CN(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)cn1
InChIInChI=1S/C17H21F3N4O/c1-23(8-12-4-6-16(25-2)21-7-12)9-13-3-5-15-22-14(17(18,19)20)11-24(15)10-13/h4,6-7,11,13H,3,5,8-10H2,1-2H3/t13-/m0/s1
InChIKeyDWUCGGVAZBEAMN-ZDUSSCGKSA-N
XLogP3.00
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine with MolForge

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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
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-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
1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-phenylpropan-2-ol
CID 128972822
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
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
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
6-ethyl-5-fluoro-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
CID 129336733
(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
2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(oxan-4-yl)acetamide
CID 129338575
N,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide
CID 129001119
3-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazine-2-carbonitrile
CID 129336506

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of 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) is N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is COc1ccc(CN(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is DWUCGGVAZBEAMN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21F3N4O/c1-23(8-12-4-6-16(25-2)21-7-12)9-13-3-5-15-22-14(17(18,19)20)11-24(15)10-13/h4,6-7,11,13H,3,5,8-10H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 354.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 129332902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).