[4-[1-[5-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate

C25H28N10O3 — CID 169273887

About [4-[1-[5-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate

[4-[1-[5-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate (PubChem CID 169273887) has the molecular formula C25H28N10O3 and a molecular weight of 516.57 g/mol. Its IUPAC name is [4-[1-[5-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [4-[1-[5-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate
• PubChem CID: 169273887
• Molecular Formula: C25H28N10O3
• Molecular Weight: 516.57 g/mol
• Exact Mass: 516.23
• IUPAC Name: [4-[1-[5-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate
• SMILES: CC(C)(C)C(=O)OCn1cc(C2CN(c3nnc(-c4cnc(NC5Cc6cccnc6C5)nc4)o3)C2)nn1
• InChI: InChI=1S/C25H28N10O3/c1-25(2,3)22(36)37-14-35-13-20(30-33-35)17-11-34(12-17)24-32-31-21(38-24)16-9-27-23(28-10-16)29-18-7-15-5-4-6-26-19(15)8-18/h4-6,9-10,13,17-18H,7-8,11-12,14H2,1-3H3,(H,27,28,29)
• InChIKey: RIZNNISMPCARMH-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 149.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.57
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of [4-[1-[5-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate?

The IUPAC name of [4-[1-[5-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate (CID 169273887) is [4-[1-[5-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate.

What is the SMILES notation for [4-[1-[5-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate?

The canonical SMILES for [4-[1-[5-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCn1cc(C2CN(c3nnc(-c4cnc(NC5Cc6cccnc6C5)nc4)o3)C2)nn1.

What is the InChIKey of [4-[1-[5-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate?

The InChIKey is RIZNNISMPCARMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N10O3/c1-25(2,3)22(36)37-14-35-13-20(30-33-35)17-11-34(12-17)24-32-31-21(38-24)16-9-27-23(28-10-16)29-18-7-15-5-4-6-26-19(15)8-18/h4-6,9-10,13,17-18H,7-8,11-12,14H2,1-3H3,(H,27,28,29).

What are the key properties of [4-[1-[5-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate?

[4-[1-[5-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 516.57 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[1-[5-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 169273887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).