1-[4-[[8-(3-hydroxyazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3,3-dimethylpiperidin-4-ol

C25H33N7O2 — CID 166547192

IUPAC1-[4-[[8-(3-hydroxyazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3,3-dimethylpiperidin-4-ol
SMILESCC(C)c1cnc(N2CC(O)C2)c2cnc(Nc3ccnc(N4CCC(O)C(C)(C)C4)n3)cc12
InChIInChI=1S/C25H33N7O2/c1-15(2)18-10-28-23(32-12-16(33)13-32)19-11-27-22(9-17(18)19)29-21-5-7-26-24(30-21)31-8-6-20(34)25(3,4)14-31/h5,7,9-11,15-16,20,33-34H,6,8,12-14H2,1-4H3,(H,26,27,29,30)
InChIKeyZUUAHHOCVKIUHB-UHFFFAOYSA-N
MW463.59 g/mol
LogP3.06
Rot. Bonds5

About 1-[4-[[8-(3-hydroxyazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3,3-dimethylpiperidin-4-ol

1-[4-[[8-(3-hydroxyazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3,3-dimethylpiperidin-4-ol (PubChem CID 166547192) has the molecular formula C25H33N7O2 and a molecular weight of 463.59 g/mol. Its IUPAC name is 1-[4-[[8-(3-hydroxyazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3,3-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-[[8-(3-hydroxyazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3,3-dimethylpiperidin-4-ol
PubChem CID166547192
Molecular FormulaC25H33N7O2
Molecular Weight463.59 g/mol
Exact Mass463.27
IUPAC Name1-[4-[[8-(3-hydroxyazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3,3-dimethylpiperidin-4-ol
SMILESCC(C)c1cnc(N2CC(O)C2)c2cnc(Nc3ccnc(N4CCC(O)C(C)(C)C4)n3)cc12
InChIInChI=1S/C25H33N7O2/c1-15(2)18-10-28-23(32-12-16(33)13-32)19-11-27-22(9-17(18)19)29-21-5-7-26-24(30-21)31-8-6-20(34)25(3,4)14-31/h5,7,9-11,15-16,20,33-34H,6,8,12-14H2,1-4H3,(H,26,27,29,30)
InChIKeyZUUAHHOCVKIUHB-UHFFFAOYSA-N
XLogP3.06
TPSA110.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[4-[[8-(3-hydroxyazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3,3-dimethylpiperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[8-(3-hydroxyazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3,3-dimethylpiperidin-4-ol?
The IUPAC name of 1-[4-[[8-(3-hydroxyazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3,3-dimethylpiperidin-4-ol (CID 166547192) is 1-[4-[[8-(3-hydroxyazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3,3-dimethylpiperidin-4-ol.
What is the SMILES notation for 1-[4-[[8-(3-hydroxyazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3,3-dimethylpiperidin-4-ol?
The canonical SMILES for 1-[4-[[8-(3-hydroxyazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3,3-dimethylpiperidin-4-ol is CC(C)c1cnc(N2CC(O)C2)c2cnc(Nc3ccnc(N4CCC(O)C(C)(C)C4)n3)cc12.
What is the InChIKey of 1-[4-[[8-(3-hydroxyazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3,3-dimethylpiperidin-4-ol?
The InChIKey is ZUUAHHOCVKIUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O2/c1-15(2)18-10-28-23(32-12-16(33)13-32)19-11-27-22(9-17(18)19)29-21-5-7-26-24(30-21)31-8-6-20(34)25(3,4)14-31/h5,7,9-11,15-16,20,33-34H,6,8,12-14H2,1-4H3,(H,26,27,29,30).
What are the key properties of 1-[4-[[8-(3-hydroxyazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3,3-dimethylpiperidin-4-ol?
1-[4-[[8-(3-hydroxyazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3,3-dimethylpiperidin-4-ol has a molecular weight of 463.59 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[8-(3-hydroxyazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3,3-dimethylpiperidin-4-ol is sourced from PubChem (CID 166547192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).