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

C15H20F3N5 — CID 128967130

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCN(Cc1cnn(C)c1)CC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H20F3N5/c1-21(7-12-5-19-22(2)8-12)6-11-3-4-14-20-13(15(16,17)18)10-23(14)9-11/h5,8,10-11H,3-4,6-7,9H2,1-2H3
InChIKeyGRPSPSOMMQEVGI-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.33
Rot. Bonds4

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

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 128967130) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID128967130
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCN(Cc1cnn(C)c1)CC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H20F3N5/c1-21(7-12-5-19-22(2)8-12)6-11-3-4-14-20-13(15(16,17)18)10-23(14)9-11/h5,8,10-11H,3-4,6-7,9H2,1-2H3
InChIKeyGRPSPSOMMQEVGI-UHFFFAOYSA-N
XLogP2.33
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 128967130) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is CN(Cc1cnn(C)c1)CC1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is GRPSPSOMMQEVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5/c1-21(7-12-5-19-22(2)8-12)6-11-3-4-14-20-13(15(16,17)18)10-23(14)9-11/h5,8,10-11H,3-4,6-7,9H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 327.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 128967130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).