(Z)-3-(3,5-dimethoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine

C25H24F3N5O2 — CID 67963068

IUPAC(Z)-3-(3,5-dimethoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
SMILESCOc1cc(OC)cc(/C(=C\CNCC(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C25H24F3N5O2/c1-33-14-18(12-31-33)24-13-30-22-5-4-16(10-23(22)32-24)21(6-7-29-15-25(26,27)28)17-8-19(34-2)11-20(9-17)35-3/h4-6,8-14,29H,7,15H2,1-3H3/b21-6-
InChIKeyAKLROGWAODZNGY-MPUCSWFWSA-N
MW483.49 g/mol
LogP4.63
Rot. Bonds8

About (Z)-3-(3,5-dimethoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine

(Z)-3-(3,5-dimethoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine (PubChem CID 67963068) has the molecular formula C25H24F3N5O2 and a molecular weight of 483.49 g/mol. Its IUPAC name is (Z)-3-(3,5-dimethoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(3,5-dimethoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
PubChem CID67963068
Molecular FormulaC25H24F3N5O2
Molecular Weight483.49 g/mol
Exact Mass483.19
IUPAC Name(Z)-3-(3,5-dimethoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
SMILESCOc1cc(OC)cc(/C(=C\CNCC(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C25H24F3N5O2/c1-33-14-18(12-31-33)24-13-30-22-5-4-16(10-23(22)32-24)21(6-7-29-15-25(26,27)28)17-8-19(34-2)11-20(9-17)35-3/h4-6,8-14,29H,7,15H2,1-3H3/b21-6-
InChIKeyAKLROGWAODZNGY-MPUCSWFWSA-N
XLogP4.63
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (Z)-3-(3,5-dimethoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Erdafitinib
CID 67462786
N'-(3,5-dimethoxyphenyl)-N'-[2-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine
CID 153991507
n1-(3,5-Dimethoxyphenyl)-n1-(3-(1-methyl-1h-pyrazol-4-yl)quinoxalin-6-yl)ethane-1,2-diamine
CID 67461665
N-(3,5-Dimethoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-amine
CID 68208633
3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 68208762
N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine
CID 68208768
N'-(3,5-dimethoxyphenyl)-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine
CID 68209344
N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2,2-trifluoroacetamide
CID 88888572
N-(2,2-difluoroethyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine
CID 88888607
N-[3,5-bis(trideuteriomethoxy)phenyl]-1,1,2,2-tetradeuterio-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N'-propan-2-ylethane-1,2-diamine
CID 89447047
N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine
CID 118014709
N'-[3-methoxy-5-(trideuteriomethoxy)phenyl]-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine
CID 118014711

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,5-dimethoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine?
The IUPAC name of (Z)-3-(3,5-dimethoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine (CID 67963068) is (Z)-3-(3,5-dimethoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-(3,5-dimethoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine?
The canonical SMILES for (Z)-3-(3,5-dimethoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine is COc1cc(OC)cc(/C(=C\CNCC(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.
What is the InChIKey of (Z)-3-(3,5-dimethoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine?
The InChIKey is AKLROGWAODZNGY-MPUCSWFWSA-N. The full InChI is InChI=1S/C25H24F3N5O2/c1-33-14-18(12-31-33)24-13-30-22-5-4-16(10-23(22)32-24)21(6-7-29-15-25(26,27)28)17-8-19(34-2)11-20(9-17)35-3/h4-6,8-14,29H,7,15H2,1-3H3/b21-6-.
What are the key properties of (Z)-3-(3,5-dimethoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine?
(Z)-3-(3,5-dimethoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine has a molecular weight of 483.49 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,5-dimethoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine is sourced from PubChem (CID 67963068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).