7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H24N8O3 — CID 153294281

About 7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 153294281) has the molecular formula C23H24N8O3 and a molecular weight of 463.52 g/mol. Its IUPAC name is 7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 153294281
• Molecular Formula: C23H24N8O3
• Molecular Weight: 463.52 g/mol
• Exact Mass: 463.22
• IUPAC Name: 7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: [2H]C([2H])([2H])O[C@H]1CC[C@@H]1NC(=O)c1cnn2c(NC)cc(Nc3cccn(-c4ccccn4)c3=O)nc12
• InChI: InChI=1S/C23H24N8O3/c1-24-20-12-18(27-16-6-5-11-30(23(16)33)19-7-3-4-10-25-19)29-21-14(13-26-31(20)21)22(32)28-15-8-9-17(15)34-2/h3-7,10-13,15,17,24H,8-9H2,1-2H3,(H,27,29)(H,28,32)/t15-,17-/m0/s1/i2D3
• InChIKey: BWINBHTTZLVXGT-SJHYICJFSA-N
• XLogP: 1.97
• TPSA: 127.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.52
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 153294281) is 7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is [2H]C([2H])([2H])O[C@H]1CC[C@@H]1NC(=O)c1cnn2c(NC)cc(Nc3cccn(-c4ccccn4)c3=O)nc12.

What is the InChIKey of 7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is BWINBHTTZLVXGT-SJHYICJFSA-N. The full InChI is InChI=1S/C23H24N8O3/c1-24-20-12-18(27-16-6-5-11-30(23(16)33)19-7-3-4-10-25-19)29-21-14(13-26-31(20)21)22(32)28-15-8-9-17(15)34-2/h3-7,10-13,15,17,24H,8-9H2,1-2H3,(H,27,29)(H,28,32)/t15-,17-/m0/s1/i2D3.

What are the key properties of 7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 463.52 g/mol, XLogP of 1.97, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 153294281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).