3-(3,5-dimethylpyrazol-1-yl)-N-(4-propan-2-ylphenyl)quinoxalin-2-amine

C22H23N5 — CID 15989807

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(4-propan-2-ylphenyl)quinoxalin-2-amine
SMILESCc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C22H23N5/c1-14(2)17-9-11-18(12-10-17)23-21-22(27-16(4)13-15(3)26-27)25-20-8-6-5-7-19(20)24-21/h5-14H,1-4H3,(H,23,24)
InChIKeySFXCCZCSEHVEQV-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.30
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-N-(4-propan-2-ylphenyl)quinoxalin-2-amine

3-(3,5-dimethylpyrazol-1-yl)-N-(4-propan-2-ylphenyl)quinoxalin-2-amine (PubChem CID 15989807) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(4-propan-2-ylphenyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(4-propan-2-ylphenyl)quinoxalin-2-amine
PubChem CID15989807
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(4-propan-2-ylphenyl)quinoxalin-2-amine
SMILESCc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C22H23N5/c1-14(2)17-9-11-18(12-10-17)23-21-22(27-16(4)13-15(3)26-27)25-20-8-6-5-7-19(20)24-21/h5-14H,1-4H3,(H,23,24)
InChIKeySFXCCZCSEHVEQV-UHFFFAOYSA-N
XLogP5.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-propan-2-ylphenyl)quinoxalin-2-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-propan-2-ylphenyl)quinoxalin-2-amine (CID 15989807) is 3-(3,5-dimethylpyrazol-1-yl)-N-(4-propan-2-ylphenyl)quinoxalin-2-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(4-propan-2-ylphenyl)quinoxalin-2-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(4-propan-2-ylphenyl)quinoxalin-2-amine is Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-propan-2-ylphenyl)quinoxalin-2-amine?
The InChIKey is SFXCCZCSEHVEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-14(2)17-9-11-18(12-10-17)23-21-22(27-16(4)13-15(3)26-27)25-20-8-6-5-7-19(20)24-21/h5-14H,1-4H3,(H,23,24).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-propan-2-ylphenyl)quinoxalin-2-amine?
3-(3,5-dimethylpyrazol-1-yl)-N-(4-propan-2-ylphenyl)quinoxalin-2-amine has a molecular weight of 357.46 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-(4-propan-2-ylphenyl)quinoxalin-2-amine is sourced from PubChem (CID 15989807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).