2-(3-methyl-2H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid

C21H21N5O2 — CID 70664721

IUPAC2-(3-methyl-2H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
SMILESCc1[nH]nc2ccc(-c3nc4ccc(C(=O)O)cc4nc3N(C)C(C)C)cc12
InChIInChI=1S/C21H21N5O2/c1-11(2)26(4)20-19(13-5-7-16-15(9-13)12(3)24-25-16)22-17-8-6-14(21(27)28)10-18(17)23-20/h5-11H,1-4H3,(H,24,25)(H,27,28)
InChIKeyKFXZLYOKRQMVBM-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.02
Rot. Bonds4

About 2-(3-methyl-2H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid

2-(3-methyl-2H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid (PubChem CID 70664721) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(3-methyl-2H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-methyl-2H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
PubChem CID70664721
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-(3-methyl-2H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
SMILESCc1[nH]nc2ccc(-c3nc4ccc(C(=O)O)cc4nc3N(C)C(C)C)cc12
InChIInChI=1S/C21H21N5O2/c1-11(2)26(4)20-19(13-5-7-16-15(9-13)12(3)24-25-16)22-17-8-6-14(21(27)28)10-18(17)23-20/h5-11H,1-4H3,(H,24,25)(H,27,28)
InChIKeyKFXZLYOKRQMVBM-UHFFFAOYSA-N
XLogP4.02
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid?
The IUPAC name of 2-(3-methyl-2H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid (CID 70664721) is 2-(3-methyl-2H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-(3-methyl-2H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid?
The canonical SMILES for 2-(3-methyl-2H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid is Cc1[nH]nc2ccc(-c3nc4ccc(C(=O)O)cc4nc3N(C)C(C)C)cc12.
What is the InChIKey of 2-(3-methyl-2H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid?
The InChIKey is KFXZLYOKRQMVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-11(2)26(4)20-19(13-5-7-16-15(9-13)12(3)24-25-16)22-17-8-6-14(21(27)28)10-18(17)23-20/h5-11H,1-4H3,(H,24,25)(H,27,28).
What are the key properties of 2-(3-methyl-2H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid?
2-(3-methyl-2H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid has a molecular weight of 375.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid is sourced from PubChem (CID 70664721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).