(1,2-dimethylpiperidin-2-yl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methanone

C17H24N6O — CID 110258350

IUPAC(1,2-dimethylpiperidin-2-yl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methanone
SMILESCN1CCCCC1(C)C(=O)N1CC(c2nn(C)c3nccnc23)C1
InChIInChI=1S/C17H24N6O/c1-17(6-4-5-9-21(17)2)16(24)23-10-12(11-23)13-14-15(22(3)20-13)19-8-7-18-14/h7-8,12H,4-6,9-11H2,1-3H3
InChIKeyCPASHOLSDFEXLJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.16
Rot. Bonds2

About (1,2-dimethylpiperidin-2-yl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methanone

(1,2-dimethylpiperidin-2-yl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methanone (PubChem CID 110258350) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (1,2-dimethylpiperidin-2-yl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(1,2-dimethylpiperidin-2-yl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methanone
PubChem CID110258350
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(1,2-dimethylpiperidin-2-yl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methanone
SMILESCN1CCCCC1(C)C(=O)N1CC(c2nn(C)c3nccnc23)C1
InChIInChI=1S/C17H24N6O/c1-17(6-4-5-9-21(17)2)16(24)23-10-12(11-23)13-14-15(22(3)20-13)19-8-7-18-14/h7-8,12H,4-6,9-11H2,1-3H3
InChIKeyCPASHOLSDFEXLJ-UHFFFAOYSA-N
XLogP1.16
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylpiperidin-2-yl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methanone?
The IUPAC name of (1,2-dimethylpiperidin-2-yl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methanone (CID 110258350) is (1,2-dimethylpiperidin-2-yl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (1,2-dimethylpiperidin-2-yl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methanone?
The canonical SMILES for (1,2-dimethylpiperidin-2-yl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methanone is CN1CCCCC1(C)C(=O)N1CC(c2nn(C)c3nccnc23)C1.
What is the InChIKey of (1,2-dimethylpiperidin-2-yl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methanone?
The InChIKey is CPASHOLSDFEXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-17(6-4-5-9-21(17)2)16(24)23-10-12(11-23)13-14-15(22(3)20-13)19-8-7-18-14/h7-8,12H,4-6,9-11H2,1-3H3.
What are the key properties of (1,2-dimethylpiperidin-2-yl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methanone?
(1,2-dimethylpiperidin-2-yl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylpiperidin-2-yl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 110258350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).