2-[4-[3-[(R)-cyclopropyl-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide

C23H25N9O2 — CID 66828468

About 2-[4-[3-[(R)-cyclopropyl-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide

2-[4-[3-[(R)-cyclopropyl-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 66828468) has the molecular formula C23H25N9O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is 2-[4-[3-[(R)-cyclopropyl-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[4-[3-[(R)-cyclopropyl-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
• PubChem CID: 66828468
• Molecular Formula: C23H25N9O2
• Molecular Weight: 459.51 g/mol
• Exact Mass: 459.21
• IUPAC Name: 2-[4-[3-[(R)-cyclopropyl-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
• SMILES: CNc1ncc(-c2ccc([C@H](c3noc(-c4cnn(CC(=O)N(C)C)c4)n3)C3CC3)cn2)cn1
• InChI: InChI=1S/C23H25N9O2/c1-24-23-26-9-16(10-27-23)18-7-6-15(8-25-18)20(14-4-5-14)21-29-22(34-30-21)17-11-28-32(12-17)13-19(33)31(2)3/h6-12,14,20H,4-5,13H2,1-3H3,(H,24,26,27)/t20-/m1/s1
• InChIKey: VHQDRTLLHVJJRL-HXUWFJFHSA-N
• XLogP: 2.46
• TPSA: 127.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.51
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(R)-cyclopropyl-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?

The IUPAC name of 2-[4-[3-[(R)-cyclopropyl-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide (CID 66828468) is 2-[4-[3-[(R)-cyclopropyl-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[4-[3-[(R)-cyclopropyl-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?

The canonical SMILES for 2-[4-[3-[(R)-cyclopropyl-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide is CNc1ncc(-c2ccc([C@H](c3noc(-c4cnn(CC(=O)N(C)C)c4)n3)C3CC3)cn2)cn1.

What is the InChIKey of 2-[4-[3-[(R)-cyclopropyl-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?

The InChIKey is VHQDRTLLHVJJRL-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25N9O2/c1-24-23-26-9-16(10-27-23)18-7-6-15(8-25-18)20(14-4-5-14)21-29-22(34-30-21)17-11-28-32(12-17)13-19(33)31(2)3/h6-12,14,20H,4-5,13H2,1-3H3,(H,24,26,27)/t20-/m1/s1.

What are the key properties of 2-[4-[3-[(R)-cyclopropyl-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?

2-[4-[3-[(R)-cyclopropyl-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 459.51 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[(R)-cyclopropyl-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]methyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 66828468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).