5-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]-7-propan-2-ylquinoxaline

C24H24N6O — CID 171830430

IUPAC5-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]-7-propan-2-ylquinoxaline
SMILESCC(C)c1cc(C(C)Oc2ccc3[nH]nc(-c4cnn(C)c4)c3c2)c2nccnc2c1
InChIInChI=1S/C24H24N6O/c1-14(2)16-9-19(24-22(10-16)25-7-8-26-24)15(3)31-18-5-6-21-20(11-18)23(29-28-21)17-12-27-30(4)13-17/h5-15H,1-4H3,(H,28,29)
InChIKeyGRZPQAGDTBFRHM-UHFFFAOYSA-N
MW412.50 g/mol
LogP5.17
Rot. Bonds5

About 5-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]-7-propan-2-ylquinoxaline

5-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]-7-propan-2-ylquinoxaline (PubChem CID 171830430) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 5-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]-7-propan-2-ylquinoxaline.

Molecular Properties

Compound Name5-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]-7-propan-2-ylquinoxaline
PubChem CID171830430
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name5-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]-7-propan-2-ylquinoxaline
SMILESCC(C)c1cc(C(C)Oc2ccc3[nH]nc(-c4cnn(C)c4)c3c2)c2nccnc2c1
InChIInChI=1S/C24H24N6O/c1-14(2)16-9-19(24-22(10-16)25-7-8-26-24)15(3)31-18-5-6-21-20(11-18)23(29-28-21)17-12-27-30(4)13-17/h5-15H,1-4H3,(H,28,29)
InChIKeyGRZPQAGDTBFRHM-UHFFFAOYSA-N
XLogP5.17
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.50
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]-7-propan-2-ylquinoxaline with MolForge

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Related Compounds

N-methyl-8-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]pyrido[2,3-b]pyrazin-6-amine
CID 178046775
5-[1-[[3-[1-(3-methylsulfonylcyclobutyl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]ethyl]quinoxaline
CID 171830458
3-[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]-5-[1-(3,5-difluorophenyl)ethoxy]-1H-indazole
CID 174223277
propane;2-[[3-(1-propylpyrazol-4-yl)-1H-indazol-5-yl]oxy]propan-1-ol
CID 165127433
3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CID 140816111
5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole
CID 171408846
methyl N-[[5-[(1R)-1-[7-(cyclopropylamino)pyrido[3,4-b]pyrazin-5-yl]ethoxy]-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]carbamate
CID 178171004
3-pyrimidin-5-yl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole
CID 156577910
3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole
CID 156578148
sodium [5-[(1R)-1-[7-(cyclopropylamino)pyrido[3,4-b]pyrazin-5-yl]ethoxy]-3-(1-methylpyrazol-4-yl)indazol-1-yl]-[(2-methylpropan-2-yl)oxy]phosphinate
CID 178170994
(S)-(3,5-dichloro-4-pyridinyl)-[[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]methanamine
CID 174339032
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole
CID 167155810

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]-7-propan-2-ylquinoxaline?
The IUPAC name of 5-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]-7-propan-2-ylquinoxaline (CID 171830430) is 5-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]-7-propan-2-ylquinoxaline.
What is the SMILES notation for 5-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]-7-propan-2-ylquinoxaline?
The canonical SMILES for 5-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]-7-propan-2-ylquinoxaline is CC(C)c1cc(C(C)Oc2ccc3[nH]nc(-c4cnn(C)c4)c3c2)c2nccnc2c1.
What is the InChIKey of 5-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]-7-propan-2-ylquinoxaline?
The InChIKey is GRZPQAGDTBFRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-14(2)16-9-19(24-22(10-16)25-7-8-26-24)15(3)31-18-5-6-21-20(11-18)23(29-28-21)17-12-27-30(4)13-17/h5-15H,1-4H3,(H,28,29).
What are the key properties of 5-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]-7-propan-2-ylquinoxaline?
5-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]-7-propan-2-ylquinoxaline has a molecular weight of 412.50 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]-7-propan-2-ylquinoxaline is sourced from PubChem (CID 171830430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).