3-[1-[3-(3-aminopropyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(oxetan-3-yl)quinoxalin-6-amine

C24H30N6O — CID 170778068

IUPAC3-[1-[3-(3-aminopropyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(oxetan-3-yl)quinoxalin-6-amine
SMILESNCCCC1CC(n2cc(-c3cnc4ccc(NC5COC5)cc4n3)c(C3CC3)n2)C1
InChIInChI=1S/C24H30N6O/c25-7-1-2-15-8-19(9-15)30-12-20(24(29-30)16-3-4-16)23-11-26-21-6-5-17(10-22(21)28-23)27-18-13-31-14-18/h5-6,10-12,15-16,18-19,27H,1-4,7-9,13-14,25H2
InChIKeyICJRKWPZFQRDQC-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.87
Rot. Bonds8

About 3-[1-[3-(3-aminopropyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(oxetan-3-yl)quinoxalin-6-amine

3-[1-[3-(3-aminopropyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(oxetan-3-yl)quinoxalin-6-amine (PubChem CID 170778068) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 3-[1-[3-(3-aminopropyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(oxetan-3-yl)quinoxalin-6-amine.

Molecular Properties

Compound Name3-[1-[3-(3-aminopropyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(oxetan-3-yl)quinoxalin-6-amine
PubChem CID170778068
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name3-[1-[3-(3-aminopropyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(oxetan-3-yl)quinoxalin-6-amine
SMILESNCCCC1CC(n2cc(-c3cnc4ccc(NC5COC5)cc4n3)c(C3CC3)n2)C1
InChIInChI=1S/C24H30N6O/c25-7-1-2-15-8-19(9-15)30-12-20(24(29-30)16-3-4-16)23-11-26-21-6-5-17(10-22(21)28-23)27-18-13-31-14-18/h5-6,10-12,15-16,18-19,27H,1-4,7-9,13-14,25H2
InChIKeyICJRKWPZFQRDQC-UHFFFAOYSA-N
XLogP3.87
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(3-aminopropyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(oxetan-3-yl)quinoxalin-6-amine?
The IUPAC name of 3-[1-[3-(3-aminopropyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(oxetan-3-yl)quinoxalin-6-amine (CID 170778068) is 3-[1-[3-(3-aminopropyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(oxetan-3-yl)quinoxalin-6-amine.
What is the SMILES notation for 3-[1-[3-(3-aminopropyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(oxetan-3-yl)quinoxalin-6-amine?
The canonical SMILES for 3-[1-[3-(3-aminopropyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(oxetan-3-yl)quinoxalin-6-amine is NCCCC1CC(n2cc(-c3cnc4ccc(NC5COC5)cc4n3)c(C3CC3)n2)C1.
What is the InChIKey of 3-[1-[3-(3-aminopropyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(oxetan-3-yl)quinoxalin-6-amine?
The InChIKey is ICJRKWPZFQRDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c25-7-1-2-15-8-19(9-15)30-12-20(24(29-30)16-3-4-16)23-11-26-21-6-5-17(10-22(21)28-23)27-18-13-31-14-18/h5-6,10-12,15-16,18-19,27H,1-4,7-9,13-14,25H2.
What are the key properties of 3-[1-[3-(3-aminopropyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(oxetan-3-yl)quinoxalin-6-amine?
3-[1-[3-(3-aminopropyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(oxetan-3-yl)quinoxalin-6-amine has a molecular weight of 418.55 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(3-aminopropyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(oxetan-3-yl)quinoxalin-6-amine is sourced from PubChem (CID 170778068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).