N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H31N7O4 — CID 137449804

About N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449804) has the molecular formula C23H31N7O4 and a molecular weight of 469.55 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137449804
• Molecular Formula: C23H31N7O4
• Molecular Weight: 469.55 g/mol
• Exact Mass: 469.24
• IUPAC Name: N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3CCCOC3)c2=O)nc2c(C(=O)NCC(C)(C)CO)cnn12
• InChI: InChI=1S/C23H31N7O4/c1-23(2,14-31)13-25-21(32)16-11-26-30-19(24-3)10-18(28-20(16)30)27-17-7-4-8-29(22(17)33)15-6-5-9-34-12-15/h4,7-8,10-11,15,24,31H,5-6,9,12-14H2,1-3H3,(H,25,32)(H,27,28)
• InChIKey: UHMGEMKJUCJKAX-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 134.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.55
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449804) is N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CCCOC3)c2=O)nc2c(C(=O)NCC(C)(C)CO)cnn12.

What is the InChIKey of N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is UHMGEMKJUCJKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O4/c1-23(2,14-31)13-25-21(32)16-11-26-30-19(24-3)10-18(28-20(16)30)27-17-7-4-8-29(22(17)33)15-6-5-9-34-12-15/h4,7-8,10-11,15,24,31H,5-6,9,12-14H2,1-3H3,(H,25,32)(H,27,28).

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

N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 1.78, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).