3-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-N-methyl-1H-pyrazole-5-carboxamide

C19H18F3N7O2 — CID 25120174

IUPAC3-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(-c2cnc3c(NCCCO)nc4cc(C(F)(F)F)ccc4n23)n[nH]1
InChIInChI=1S/C19H18F3N7O2/c1-23-18(31)13-8-12(27-28-13)15-9-25-17-16(24-5-2-6-30)26-11-7-10(19(20,21)22)3-4-14(11)29(15)17/h3-4,7-9,30H,2,5-6H2,1H3,(H,23,31)(H,24,26)(H,27,28)
InChIKeyUBJRAZIPQOCZDO-UHFFFAOYSA-N
MW433.39 g/mol
LogP2.45
Rot. Bonds6

About 3-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-N-methyl-1H-pyrazole-5-carboxamide

3-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 25120174) has the molecular formula C19H18F3N7O2 and a molecular weight of 433.39 g/mol. Its IUPAC name is 3-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID25120174
Molecular FormulaC19H18F3N7O2
Molecular Weight433.39 g/mol
Exact Mass433.15
IUPAC Name3-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(-c2cnc3c(NCCCO)nc4cc(C(F)(F)F)ccc4n23)n[nH]1
InChIInChI=1S/C19H18F3N7O2/c1-23-18(31)13-8-12(27-28-13)15-9-25-17-16(24-5-2-6-30)26-11-7-10(19(20,21)22)3-4-14(11)29(15)17/h3-4,7-9,30H,2,5-6H2,1H3,(H,23,31)(H,24,26)(H,27,28)
InChIKeyUBJRAZIPQOCZDO-UHFFFAOYSA-N
XLogP2.45
TPSA120.23 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 52.45
H-Bond Donors ≤ 54
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 3-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-N-methyl-1H-pyrazole-5-carboxamide (CID 25120174) is 3-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-N-methyl-1H-pyrazole-5-carboxamide is CNC(=O)c1cc(-c2cnc3c(NCCCO)nc4cc(C(F)(F)F)ccc4n23)n[nH]1.
What is the InChIKey of 3-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is UBJRAZIPQOCZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O2/c1-23-18(31)13-8-12(27-28-13)15-9-25-17-16(24-5-2-6-30)26-11-7-10(19(20,21)22)3-4-14(11)29(15)17/h3-4,7-9,30H,2,5-6H2,1H3,(H,23,31)(H,24,26)(H,27,28).
What are the key properties of 3-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-N-methyl-1H-pyrazole-5-carboxamide?
3-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 433.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 25120174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).