6-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(1-methylazetidin-3-yl)pyridin-2-amine

C20H28N6 — CID 170778181

IUPAC6-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(1-methylazetidin-3-yl)pyridin-2-amine
SMILESCN1CC(Nc2cccc(-c3cn(C4CC(CN)C4)nc3C3CC3)n2)C1
InChIInChI=1S/C20H28N6/c1-25-10-15(11-25)22-19-4-2-3-18(23-19)17-12-26(16-7-13(8-16)9-21)24-20(17)14-5-6-14/h2-4,12-16H,5-11,21H2,1H3,(H,22,23)
InChIKeyQOIJKBCYWUTHBQ-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.46
Rot. Bonds6

About 6-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(1-methylazetidin-3-yl)pyridin-2-amine

6-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(1-methylazetidin-3-yl)pyridin-2-amine (PubChem CID 170778181) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 6-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(1-methylazetidin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(1-methylazetidin-3-yl)pyridin-2-amine
PubChem CID170778181
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name6-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(1-methylazetidin-3-yl)pyridin-2-amine
SMILESCN1CC(Nc2cccc(-c3cn(C4CC(CN)C4)nc3C3CC3)n2)C1
InChIInChI=1S/C20H28N6/c1-25-10-15(11-25)22-19-4-2-3-18(23-19)17-12-26(16-7-13(8-16)9-21)24-20(17)14-5-6-14/h2-4,12-16H,5-11,21H2,1H3,(H,22,23)
InChIKeyQOIJKBCYWUTHBQ-UHFFFAOYSA-N
XLogP2.46
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(1-methylazetidin-3-yl)pyridin-2-amine?
The IUPAC name of 6-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(1-methylazetidin-3-yl)pyridin-2-amine (CID 170778181) is 6-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(1-methylazetidin-3-yl)pyridin-2-amine.
What is the SMILES notation for 6-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(1-methylazetidin-3-yl)pyridin-2-amine?
The canonical SMILES for 6-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(1-methylazetidin-3-yl)pyridin-2-amine is CN1CC(Nc2cccc(-c3cn(C4CC(CN)C4)nc3C3CC3)n2)C1.
What is the InChIKey of 6-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(1-methylazetidin-3-yl)pyridin-2-amine?
The InChIKey is QOIJKBCYWUTHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-25-10-15(11-25)22-19-4-2-3-18(23-19)17-12-26(16-7-13(8-16)9-21)24-20(17)14-5-6-14/h2-4,12-16H,5-11,21H2,1H3,(H,22,23).
What are the key properties of 6-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(1-methylazetidin-3-yl)pyridin-2-amine?
6-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(1-methylazetidin-3-yl)pyridin-2-amine has a molecular weight of 352.49 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(aminomethyl)cyclobutyl]-3-cyclopropylpyrazol-4-yl]-N-(1-methylazetidin-3-yl)pyridin-2-amine is sourced from PubChem (CID 170778181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).