5-[[1-(1-cyclopropyl-5-methylpyrazol-4-yl)-5-methyl-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H23N9O2 — CID 137457538

About 5-[[1-(1-cyclopropyl-5-methylpyrazol-4-yl)-5-methyl-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-(1-cyclopropyl-5-methylpyrazol-4-yl)-5-methyl-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137457538) has the molecular formula C21H23N9O2 and a molecular weight of 433.48 g/mol. Its IUPAC name is 5-[[1-(1-cyclopropyl-5-methylpyrazol-4-yl)-5-methyl-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[1-(1-cyclopropyl-5-methylpyrazol-4-yl)-5-methyl-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137457538
• Molecular Formula: C21H23N9O2
• Molecular Weight: 433.48 g/mol
• Exact Mass: 433.20
• IUPAC Name: 5-[[1-(1-cyclopropyl-5-methylpyrazol-4-yl)-5-methyl-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cc(C)cn(-c3cnn(C4CC4)c3C)c2=O)nc2c(C(N)=O)cnn12
• InChI: InChI=1S/C21H23N9O2/c1-11-6-15(21(32)28(10-11)16-9-25-29(12(16)2)13-4-5-13)26-17-7-18(23-3)30-20(27-17)14(8-24-30)19(22)31/h6-10,13,23H,4-5H2,1-3H3,(H2,22,31)(H,26,27)
• InChIKey: OLVPSYCZCVXGBT-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 137.16 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	1.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(1-cyclopropyl-5-methylpyrazol-4-yl)-5-methyl-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[[1-(1-cyclopropyl-5-methylpyrazol-4-yl)-5-methyl-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137457538) is 5-[[1-(1-cyclopropyl-5-methylpyrazol-4-yl)-5-methyl-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[[1-(1-cyclopropyl-5-methylpyrazol-4-yl)-5-methyl-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[[1-(1-cyclopropyl-5-methylpyrazol-4-yl)-5-methyl-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(C)cn(-c3cnn(C4CC4)c3C)c2=O)nc2c(C(N)=O)cnn12.

What is the InChIKey of 5-[[1-(1-cyclopropyl-5-methylpyrazol-4-yl)-5-methyl-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is OLVPSYCZCVXGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N9O2/c1-11-6-15(21(32)28(10-11)16-9-25-29(12(16)2)13-4-5-13)26-17-7-18(23-3)30-20(27-17)14(8-24-30)19(22)31/h6-10,13,23H,4-5H2,1-3H3,(H2,22,31)(H,26,27).

What are the key properties of 5-[[1-(1-cyclopropyl-5-methylpyrazol-4-yl)-5-methyl-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[[1-(1-cyclopropyl-5-methylpyrazol-4-yl)-5-methyl-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 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-(1-cyclopropyl-5-methylpyrazol-4-yl)-5-methyl-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137457538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).