N,N-dimethyl-3-[[5-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]oxy]propan-1-amine

C23H22F3N5O2 — CID 155560557

IUPACN,N-dimethyl-3-[[5-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]oxy]propan-1-amine
SMILESCN(C)CCCOc1ccc(-c2cn3c(-c4cccc(OC(F)(F)F)c4)cnc3cn2)cn1
InChIInChI=1S/C23H22F3N5O2/c1-30(2)9-4-10-32-22-8-7-17(12-29-22)19-15-31-20(13-28-21(31)14-27-19)16-5-3-6-18(11-16)33-23(24,25)26/h3,5-8,11-15H,4,9-10H2,1-2H3
InChIKeyNBHJXBRRSJOYTM-UHFFFAOYSA-N
MW457.46 g/mol
LogP4.69
Rot. Bonds8

About N,N-dimethyl-3-[[5-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]oxy]propan-1-amine

N,N-dimethyl-3-[[5-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]oxy]propan-1-amine (PubChem CID 155560557) has the molecular formula C23H22F3N5O2 and a molecular weight of 457.46 g/mol. Its IUPAC name is N,N-dimethyl-3-[[5-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[5-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]oxy]propan-1-amine
PubChem CID155560557
Molecular FormulaC23H22F3N5O2
Molecular Weight457.46 g/mol
Exact Mass457.17
IUPAC NameN,N-dimethyl-3-[[5-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]oxy]propan-1-amine
SMILESCN(C)CCCOc1ccc(-c2cn3c(-c4cccc(OC(F)(F)F)c4)cnc3cn2)cn1
InChIInChI=1S/C23H22F3N5O2/c1-30(2)9-4-10-32-22-8-7-17(12-29-22)19-15-31-20(13-28-21(31)14-27-19)16-5-3-6-18(11-16)33-23(24,25)26/h3,5-8,11-15H,4,9-10H2,1-2H3
InChIKeyNBHJXBRRSJOYTM-UHFFFAOYSA-N
XLogP4.69
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[5-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[[5-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]oxy]propan-1-amine (CID 155560557) is N,N-dimethyl-3-[[5-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[[5-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[[5-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]oxy]propan-1-amine is CN(C)CCCOc1ccc(-c2cn3c(-c4cccc(OC(F)(F)F)c4)cnc3cn2)cn1.
What is the InChIKey of N,N-dimethyl-3-[[5-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]oxy]propan-1-amine?
The InChIKey is NBHJXBRRSJOYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O2/c1-30(2)9-4-10-32-22-8-7-17(12-29-22)19-15-31-20(13-28-21(31)14-27-19)16-5-3-6-18(11-16)33-23(24,25)26/h3,5-8,11-15H,4,9-10H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[[5-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]oxy]propan-1-amine?
N,N-dimethyl-3-[[5-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]oxy]propan-1-amine has a molecular weight of 457.46 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[5-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]oxy]propan-1-amine is sourced from PubChem (CID 155560557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).