1-[3-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]quinoxalin-6-yl]azetidin-3-ol

C22H26N6O — CID 176820143

IUPAC1-[3-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]quinoxalin-6-yl]azetidin-3-ol
SMILESNCC1CC(n2cc(-c3cnc4ccc(N5CC(O)C5)cc4n3)c(C3CC3)n2)C1
InChIInChI=1S/C22H26N6O/c23-8-13-5-16(6-13)28-12-18(22(26-28)14-1-2-14)21-9-24-19-4-3-15(7-20(19)25-21)27-10-17(29)11-27/h3-4,7,9,12-14,16-17,29H,1-2,5-6,8,10-11,23H2
InChIKeyNHRXXRAXSFTEPA-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.46
Rot. Bonds5

About 1-[3-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]quinoxalin-6-yl]azetidin-3-ol

1-[3-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]quinoxalin-6-yl]azetidin-3-ol (PubChem CID 176820143) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[3-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]quinoxalin-6-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[3-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]quinoxalin-6-yl]azetidin-3-ol
PubChem CID176820143
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name1-[3-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]quinoxalin-6-yl]azetidin-3-ol
SMILESNCC1CC(n2cc(-c3cnc4ccc(N5CC(O)C5)cc4n3)c(C3CC3)n2)C1
InChIInChI=1S/C22H26N6O/c23-8-13-5-16(6-13)28-12-18(22(26-28)14-1-2-14)21-9-24-19-4-3-15(7-20(19)25-21)27-10-17(29)11-27/h3-4,7,9,12-14,16-17,29H,1-2,5-6,8,10-11,23H2
InChIKeyNHRXXRAXSFTEPA-UHFFFAOYSA-N
XLogP2.46
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]quinoxalin-6-yl]azetidin-3-ol?
The IUPAC name of 1-[3-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]quinoxalin-6-yl]azetidin-3-ol (CID 176820143) is 1-[3-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]quinoxalin-6-yl]azetidin-3-ol.
What is the SMILES notation for 1-[3-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]quinoxalin-6-yl]azetidin-3-ol?
The canonical SMILES for 1-[3-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]quinoxalin-6-yl]azetidin-3-ol is NCC1CC(n2cc(-c3cnc4ccc(N5CC(O)C5)cc4n3)c(C3CC3)n2)C1.
What is the InChIKey of 1-[3-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]quinoxalin-6-yl]azetidin-3-ol?
The InChIKey is NHRXXRAXSFTEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c23-8-13-5-16(6-13)28-12-18(22(26-28)14-1-2-14)21-9-24-19-4-3-15(7-20(19)25-21)27-10-17(29)11-27/h3-4,7,9,12-14,16-17,29H,1-2,5-6,8,10-11,23H2.
What are the key properties of 1-[3-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]quinoxalin-6-yl]azetidin-3-ol?
1-[3-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]quinoxalin-6-yl]azetidin-3-ol has a molecular weight of 390.49 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]quinoxalin-6-yl]azetidin-3-ol is sourced from PubChem (CID 176820143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).