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

C19H18F4N4 — CID 129339682

IUPACN-[(6-fluoroquinolin-8-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESFc1cc(CNC[C@H]2CCc3nc(C(F)(F)F)cn3C2)c2ncccc2c1
InChIInChI=1S/C19H18F4N4/c20-15-6-13-2-1-5-25-18(13)14(7-15)9-24-8-12-3-4-17-26-16(19(21,22)23)11-27(17)10-12/h1-2,5-7,11-12,24H,3-4,8-10H2/t12-/m1/s1
InChIKeyOYPBNFAXAQYRHY-GFCCVEGCSA-N
MW378.37 g/mol
LogP3.94
Rot. Bonds4

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

N-[(6-fluoroquinolin-8-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 129339682) has the molecular formula C19H18F4N4 and a molecular weight of 378.37 g/mol. Its IUPAC name is N-[(6-fluoroquinolin-8-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(6-fluoroquinolin-8-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID129339682
Molecular FormulaC19H18F4N4
Molecular Weight378.37 g/mol
Exact Mass378.15
IUPAC NameN-[(6-fluoroquinolin-8-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESFc1cc(CNC[C@H]2CCc3nc(C(F)(F)F)cn3C2)c2ncccc2c1
InChIInChI=1S/C19H18F4N4/c20-15-6-13-2-1-5-25-18(13)14(7-15)9-24-8-12-3-4-17-26-16(19(21,22)23)11-27(17)10-12/h1-2,5-7,11-12,24H,3-4,8-10H2/t12-/m1/s1
InChIKeyOYPBNFAXAQYRHY-GFCCVEGCSA-N
XLogP3.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6-fluoroquinolin-8-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine with MolForge

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Related Compounds

3-[[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]methyl]-1H-quinolin-2-one
CID 129344590
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 128974915
1-pyridin-2-yl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129005982
1-pyridin-2-yl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129330660
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 128972677
N-[(1-methylbenzimidazol-2-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129001546
4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine
CID 129002408
N-[(4-morpholin-4-ylphenyl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129342633
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129333757
1-(2-pyrazol-1-ylethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129339762
1-(2-pyrazol-1-ylethyl)-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129339761
N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129338254

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoroquinolin-8-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-[(6-fluoroquinolin-8-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 129339682) is N-[(6-fluoroquinolin-8-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-[(6-fluoroquinolin-8-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-[(6-fluoroquinolin-8-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is Fc1cc(CNC[C@H]2CCc3nc(C(F)(F)F)cn3C2)c2ncccc2c1.
What is the InChIKey of N-[(6-fluoroquinolin-8-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is OYPBNFAXAQYRHY-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18F4N4/c20-15-6-13-2-1-5-25-18(13)14(7-15)9-24-8-12-3-4-17-26-16(19(21,22)23)11-27(17)10-12/h1-2,5-7,11-12,24H,3-4,8-10H2/t12-/m1/s1.
What are the key properties of N-[(6-fluoroquinolin-8-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-[(6-fluoroquinolin-8-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 378.37 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoroquinolin-8-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 129339682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).