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

C17H14ClF3N6O — CID 59333296

IUPAC3-[[1-(4-chloro-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
SMILESOCCCNc1nc2cc(C(F)(F)F)ccc2n2c(-c3[nH]ncc3Cl)cnc12
InChIInChI=1S/C17H14ClF3N6O/c18-10-7-24-26-14(10)13-8-23-16-15(22-4-1-5-28)25-11-6-9(17(19,20)21)2-3-12(11)27(13)16/h2-3,6-8,28H,1,4-5H2,(H,22,25)(H,24,26)
InChIKeyIARDPLMHGYVNKE-UHFFFAOYSA-N
MW410.79 g/mol
LogP3.74
Rot. Bonds5

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

3-[[1-(4-chloro-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (PubChem CID 59333296) has the molecular formula C17H14ClF3N6O and a molecular weight of 410.79 g/mol. Its IUPAC name is 3-[[1-(4-chloro-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-(4-chloro-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
PubChem CID59333296
Molecular FormulaC17H14ClF3N6O
Molecular Weight410.79 g/mol
Exact Mass410.09
IUPAC Name3-[[1-(4-chloro-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
SMILESOCCCNc1nc2cc(C(F)(F)F)ccc2n2c(-c3[nH]ncc3Cl)cnc12
InChIInChI=1S/C17H14ClF3N6O/c18-10-7-24-26-14(10)13-8-23-16-15(22-4-1-5-28)25-11-6-9(17(19,20)21)2-3-12(11)27(13)16/h2-3,6-8,28H,1,4-5H2,(H,22,25)(H,24,26)
InChIKeyIARDPLMHGYVNKE-UHFFFAOYSA-N
XLogP3.74
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.79
LogP ≤ 53.74
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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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-chloro-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[1-(4-chloro-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (CID 59333296) is 3-[[1-(4-chloro-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-(4-chloro-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[1-(4-chloro-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is OCCCNc1nc2cc(C(F)(F)F)ccc2n2c(-c3[nH]ncc3Cl)cnc12.
What is the InChIKey of 3-[[1-(4-chloro-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The InChIKey is IARDPLMHGYVNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N6O/c18-10-7-24-26-14(10)13-8-23-16-15(22-4-1-5-28)25-11-6-9(17(19,20)21)2-3-12(11)27(13)16/h2-3,6-8,28H,1,4-5H2,(H,22,25)(H,24,26).
What are the key properties of 3-[[1-(4-chloro-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
3-[[1-(4-chloro-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol has a molecular weight of 410.79 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-chloro-1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 59333296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).