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

C21H23N9O2 — CID 137449698

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

N-cyclopropyl-5-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449698) has the molecular formula C21H23N9O2 and a molecular weight of 433.48 g/mol. Its IUPAC name is N-cyclopropyl-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-cyclopropyl-5-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137449698
• Molecular Formula: C21H23N9O2
• Molecular Weight: 433.48 g/mol
• Exact Mass: 433.20
• IUPAC Name: N-cyclopropyl-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)NC3CC3)cnn12
• InChI: InChI=1S/C21H23N9O2/c1-12-9-18(28(3)27-12)29-8-4-5-15(21(29)32)25-16-10-17(22-2)30-19(26-16)14(11-23-30)20(31)24-13-6-7-13/h4-5,8-11,13,22H,6-7H2,1-3H3,(H,24,31)(H,25,26)
• InChIKey: JSJSZEDBZUQZIR-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 123.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.48
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-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-cyclopropyl-5-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449698) is N-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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)NC3CC3)cnn12.

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

The InChIKey is JSJSZEDBZUQZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N9O2/c1-12-9-18(28(3)27-12)29-8-4-5-15(21(29)32)25-16-10-17(22-2)30-19(26-16)14(11-23-30)20(31)24-13-6-7-13/h4-5,8-11,13,22H,6-7H2,1-3H3,(H,24,31)(H,25,26).

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

N-cyclopropyl-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 433.48 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-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 137449698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).