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

C24H21F3N6O2 — CID 59333287

IUPAC3-[[1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
SMILESCOc1ccc(-c2cc(-c3cnc4c(NCCCO)nc5cc(C(F)(F)F)ccc5n34)[nH]n2)cc1
InChIInChI=1S/C24H21F3N6O2/c1-35-16-6-3-14(4-7-16)17-12-19(32-31-17)21-13-29-23-22(28-9-2-10-34)30-18-11-15(24(25,26)27)5-8-20(18)33(21)23/h3-8,11-13,34H,2,9-10H2,1H3,(H,28,30)(H,31,32)
InChIKeyPOJVVAZBZADORZ-UHFFFAOYSA-N
MW482.47 g/mol
LogP4.76
Rot. Bonds7

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

3-[[1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (PubChem CID 59333287) has the molecular formula C24H21F3N6O2 and a molecular weight of 482.47 g/mol. Its IUPAC name is 3-[[1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
PubChem CID59333287
Molecular FormulaC24H21F3N6O2
Molecular Weight482.47 g/mol
Exact Mass482.17
IUPAC Name3-[[1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
SMILESCOc1ccc(-c2cc(-c3cnc4c(NCCCO)nc5cc(C(F)(F)F)ccc5n34)[nH]n2)cc1
InChIInChI=1S/C24H21F3N6O2/c1-35-16-6-3-14(4-7-16)17-12-19(32-31-17)21-13-29-23-22(28-9-2-10-34)30-18-11-15(24(25,26)27)5-8-20(18)33(21)23/h3-8,11-13,34H,2,9-10H2,1H3,(H,28,30)(H,31,32)
InChIKeyPOJVVAZBZADORZ-UHFFFAOYSA-N
XLogP4.76
TPSA100.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 54.76
H-Bond Donors ≤ 53
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-[[1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (CID 59333287) is 3-[[1-[3-(4-methoxyphenyl)-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-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is COc1ccc(-c2cc(-c3cnc4c(NCCCO)nc5cc(C(F)(F)F)ccc5n34)[nH]n2)cc1.
What is the InChIKey of 3-[[1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The InChIKey is POJVVAZBZADORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O2/c1-35-16-6-3-14(4-7-16)17-12-19(32-31-17)21-13-29-23-22(28-9-2-10-34)30-18-11-15(24(25,26)27)5-8-20(18)33(21)23/h3-8,11-13,34H,2,9-10H2,1H3,(H,28,30)(H,31,32).
What are the key properties of 3-[[1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
3-[[1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol has a molecular weight of 482.47 g/mol, XLogP of 4.76, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 59333287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).