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

C22H25N9O2 — CID 137450109

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

N-cyclobutyl-5-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450109) has the molecular formula C22H25N9O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-cyclobutyl-5-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclobutyl-5-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137450109
• Molecular Formula: C22H25N9O2
• Molecular Weight: 447.50 g/mol
• Exact Mass: 447.21
• IUPAC Name: N-cyclobutyl-5-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(-c3cc(C)nn3C)c2=O)nc2c(C(=O)NC3CCC3)cnn12
• InChI: InChI=1S/C22H25N9O2/c1-13-10-19(29(3)28-13)30-9-5-8-16(22(30)33)26-17-11-18(23-2)31-20(27-17)15(12-24-31)21(32)25-14-6-4-7-14/h5,8-12,14,23H,4,6-7H2,1-3H3,(H,25,32)(H,26,27)
• InChIKey: CGWUZYYGHRXMHJ-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 123.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.50
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-cyclobutyl-5-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450109) is N-cyclobutyl-5-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-cyclobutyl-5-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3cc(C)nn3C)c2=O)nc2c(C(=O)NC3CCC3)cnn12.

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

The InChIKey is CGWUZYYGHRXMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9O2/c1-13-10-19(29(3)28-13)30-9-5-8-16(22(30)33)26-17-11-18(23-2)31-20(27-17)15(12-24-31)21(32)25-14-6-4-7-14/h5,8-12,14,23H,4,6-7H2,1-3H3,(H,25,32)(H,26,27).

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

N-cyclobutyl-5-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclobutyl-5-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).