5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane

C24H30ClN7O4 — CID 142523460

About 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane

5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane (PubChem CID 142523460) has the molecular formula C24H30ClN7O4 and a molecular weight of 516.00 g/mol. Its IUPAC name is 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane.

Molecular Properties

• Compound Name: 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane
• PubChem CID: 142523460
• Molecular Formula: C24H30ClN7O4
• Molecular Weight: 516.00 g/mol
• Exact Mass: 515.20
• IUPAC Name: 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane
• SMILES: C1OCC2CC12.CNC(=O)c1cnn2c(NC)cc(Nc3cc(Cl)cn(C4CCCOC4)c3=O)nc12
• InChI: InChI=1S/C19H22ClN7O3.C5H8O/c1-21-16-7-15(25-17-13(18(28)22-2)8-23-27(16)17)24-14-6-11(20)9-26(19(14)29)12-4-3-5-30-10-12;1-4-2-6-3-5(1)4/h6-9,12,21H,3-5,10H2,1-2H3,(H,22,28)(H,24,25);4-5H,1-3H2
• InChIKey: GYJHGHPVTCKJCO-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 123.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.00
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane?

The IUPAC name of 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane (CID 142523460) is 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane.

What is the SMILES notation for 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane?

The canonical SMILES for 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane is C1OCC2CC12.CNC(=O)c1cnn2c(NC)cc(Nc3cc(Cl)cn(C4CCCOC4)c3=O)nc12.

What is the InChIKey of 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane?

The InChIKey is GYJHGHPVTCKJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN7O3.C5H8O/c1-21-16-7-15(25-17-13(18(28)22-2)8-23-27(16)17)24-14-6-11(20)9-26(19(14)29)12-4-3-5-30-10-12;1-4-2-6-3-5(1)4/h6-9,12,21H,3-5,10H2,1-2H3,(H,22,28)(H,24,25);4-5H,1-3H2.

What are the key properties of 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane?

5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane has a molecular weight of 516.00 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 142523460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).