1-[4-(6-fluoro-1-methylindazol-3-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

C24H25FN6O2 — CID 123562110

IUPAC1-[4-(6-fluoro-1-methylindazol-3-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3cnn(CCO)c3)cc2N(c2nn(C)c3cc(F)ccc23)CC1C
InChIInChI=1S/C24H25FN6O2/c1-15-13-30(24-20-6-5-19(25)11-22(20)28(3)27-24)23-10-17(4-7-21(23)31(15)16(2)33)18-12-26-29(14-18)8-9-32/h4-7,10-12,14-15,32H,8-9,13H2,1-3H3
InChIKeyJMALUFSAEIJABM-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.46
Rot. Bonds4

About 1-[4-(6-fluoro-1-methylindazol-3-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

1-[4-(6-fluoro-1-methylindazol-3-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 123562110) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1-methylindazol-3-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-fluoro-1-methylindazol-3-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
PubChem CID123562110
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name1-[4-(6-fluoro-1-methylindazol-3-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3cnn(CCO)c3)cc2N(c2nn(C)c3cc(F)ccc23)CC1C
InChIInChI=1S/C24H25FN6O2/c1-15-13-30(24-20-6-5-19(25)11-22(20)28(3)27-24)23-10-17(4-7-21(23)31(15)16(2)33)18-12-26-29(14-18)8-9-32/h4-7,10-12,14-15,32H,8-9,13H2,1-3H3
InChIKeyJMALUFSAEIJABM-UHFFFAOYSA-N
XLogP3.46
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-7-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylic acid
CID 118079706
1-[6-(1-cyclopropylpyrazol-4-yl)-4-(7-fluoro-1-methylindazol-3-yl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118306610
1,3-difluoropropan-2-yl (3S)-4-acetyl-7-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 118080137
1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-4-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123253117
1-[(2S)-2-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139326002
1-[4-(cyclopropanecarbonyl)-6-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079567
(4-fluorophenyl) 4-acetyl-7-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 123470818
propan-2-yl (3S)-4-acetyl-7-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 118079629
propan-2-yl (3S)-4-acetyl-3-methyl-7-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate
CID 118079480
1-[5-(cyclopentylmethoxy)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123720509
(5R)-5-[[(2S)-1-acetyl-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxymethyl]pyrrolidin-2-one
CID 118086229
1-[4-(furan-2-carbonyl)-6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079769

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1-methylindazol-3-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-fluoro-1-methylindazol-3-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (CID 123562110) is 1-[4-(6-fluoro-1-methylindazol-3-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-fluoro-1-methylindazol-3-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-fluoro-1-methylindazol-3-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is CC(=O)N1c2ccc(-c3cnn(CCO)c3)cc2N(c2nn(C)c3cc(F)ccc23)CC1C.
What is the InChIKey of 1-[4-(6-fluoro-1-methylindazol-3-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The InChIKey is JMALUFSAEIJABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-15-13-30(24-20-6-5-19(25)11-22(20)28(3)27-24)23-10-17(4-7-21(23)31(15)16(2)33)18-12-26-29(14-18)8-9-32/h4-7,10-12,14-15,32H,8-9,13H2,1-3H3.
What are the key properties of 1-[4-(6-fluoro-1-methylindazol-3-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
1-[4-(6-fluoro-1-methylindazol-3-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 448.50 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1-methylindazol-3-yl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 123562110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).