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

C20H25F3N4O — CID 129342633

IUPACN-[(4-morpholin-4-ylphenyl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESFC(F)(F)c1cn2c(n1)CC[C@@H](CNCc1ccc(N3CCOCC3)cc1)C2
InChIInChI=1S/C20H25F3N4O/c21-20(22,23)18-14-27-13-16(3-6-19(27)25-18)12-24-11-15-1-4-17(5-2-15)26-7-9-28-10-8-26/h1-2,4-5,14,16,24H,3,6-13H2/t16-/m0/s1
InChIKeyUPPGRIMOKHZBCN-INIZCTEOSA-N
MW394.44 g/mol
LogP3.09
Rot. Bonds5

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

N-[(4-morpholin-4-ylphenyl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 129342633) has the molecular formula C20H25F3N4O and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylphenyl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylphenyl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID129342633
Molecular FormulaC20H25F3N4O
Molecular Weight394.44 g/mol
Exact Mass394.20
IUPAC NameN-[(4-morpholin-4-ylphenyl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESFC(F)(F)c1cn2c(n1)CC[C@@H](CNCc1ccc(N3CCOCC3)cc1)C2
InChIInChI=1S/C20H25F3N4O/c21-20(22,23)18-14-27-13-16(3-6-19(27)25-18)12-24-11-15-1-4-17(5-2-15)26-7-9-28-10-8-26/h1-2,4-5,14,16,24H,3,6-13H2/t16-/m0/s1
InChIKeyUPPGRIMOKHZBCN-INIZCTEOSA-N
XLogP3.09
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 129342633) is N-[(4-morpholin-4-ylphenyl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-[(4-morpholin-4-ylphenyl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-[(4-morpholin-4-ylphenyl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is FC(F)(F)c1cn2c(n1)CC[C@@H](CNCc1ccc(N3CCOCC3)cc1)C2.
What is the InChIKey of N-[(4-morpholin-4-ylphenyl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is UPPGRIMOKHZBCN-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25F3N4O/c21-20(22,23)18-14-27-13-16(3-6-19(27)25-18)12-24-11-15-1-4-17(5-2-15)26-7-9-28-10-8-26/h1-2,4-5,14,16,24H,3,6-13H2/t16-/m0/s1.
What are the key properties of N-[(4-morpholin-4-ylphenyl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-[(4-morpholin-4-ylphenyl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 394.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylphenyl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 129342633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).