3-[[1-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol

C17H15F3N6O — CID 24948433

IUPAC3-[[1-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
SMILESOCCCNc1nc2cc(C(F)(F)F)ccc2n2c(-c3ccn[nH]3)cnc12
InChIInChI=1S/C17H15F3N6O/c18-17(19,20)10-2-3-13-12(8-10)24-15(21-5-1-7-27)16-22-9-14(26(13)16)11-4-6-23-25-11/h2-4,6,8-9,27H,1,5,7H2,(H,21,24)(H,23,25)
InChIKeyCRRPZZDKHPGITR-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.09
Rot. Bonds5

About 3-[[1-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol

3-[[1-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (PubChem CID 24948433) has the molecular formula C17H15F3N6O and a molecular weight of 376.34 g/mol. Its IUPAC name is 3-[[1-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
PubChem CID24948433
Molecular FormulaC17H15F3N6O
Molecular Weight376.34 g/mol
Exact Mass376.13
IUPAC Name3-[[1-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
SMILESOCCCNc1nc2cc(C(F)(F)F)ccc2n2c(-c3ccn[nH]3)cnc12
InChIInChI=1S/C17H15F3N6O/c18-17(19,20)10-2-3-13-12(8-10)24-15(21-5-1-7-27)16-22-9-14(26(13)16)11-4-6-23-25-11/h2-4,6,8-9,27H,1,5,7H2,(H,21,24)(H,23,25)
InChIKeyCRRPZZDKHPGITR-UHFFFAOYSA-N
XLogP3.09
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluorophenyl)-3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-2-yl]-1H-pyrazol-4-yl}urea
CID 135428039
N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[1,5-a]quinoxalin-4-amine
CID 49805556
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-4-ol
CID 59473526
2-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethanol
CID 59473598
N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine
CID 59587678
N-phenyl-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine
CID 59587708
CID 71456481
CID 71456481
3-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]propan-1-ol
CID 118275156
3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227315
3-(4-Fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(perfluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227333
3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(2,2,2-trifluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227344
3-(4-fluoro-1H-indazol-5-yl)-2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
CID 135227358

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[1-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (CID 24948433) is 3-[[1-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[1-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[1-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is OCCCNc1nc2cc(C(F)(F)F)ccc2n2c(-c3ccn[nH]3)cnc12.
What is the InChIKey of 3-[[1-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The InChIKey is CRRPZZDKHPGITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O/c18-17(19,20)10-2-3-13-12(8-10)24-15(21-5-1-7-27)16-22-9-14(26(13)16)11-4-6-23-25-11/h2-4,6,8-9,27H,1,5,7H2,(H,21,24)(H,23,25).
What are the key properties of 3-[[1-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
3-[[1-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol has a molecular weight of 376.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 24948433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).