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

C21H22FN9O2 — CID 137449373

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

N-cyclopropyl-5-[[1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449373) has the molecular formula C21H22FN9O2 and a molecular weight of 451.47 g/mol. Its IUPAC name is N-cyclopropyl-5-[[1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-5-[[1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137449373
• Molecular Formula: C21H22FN9O2
• Molecular Weight: 451.47 g/mol
• Exact Mass: 451.19
• IUPAC Name: N-cyclopropyl-5-[[1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cc(F)cn(-c3cc(C)n(C)n3)c2=O)nc2c(C(=O)NC3CC3)cnn12
• InChI: InChI=1S/C21H22FN9O2/c1-11-6-18(28-29(11)3)30-10-12(22)7-15(21(30)33)26-16-8-17(23-2)31-19(27-16)14(9-24-31)20(32)25-13-4-5-13/h6-10,13,23H,4-5H2,1-3H3,(H,25,32)(H,26,27)
• InChIKey: RKSUDGDKNBBCPC-UHFFFAOYSA-N
• XLogP: 1.74
• 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	451.47
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-5-[[1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449373) is N-cyclopropyl-5-[[1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-cyclopropyl-5-[[1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(F)cn(-c3cc(C)n(C)n3)c2=O)nc2c(C(=O)NC3CC3)cnn12.

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

The InChIKey is RKSUDGDKNBBCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN9O2/c1-11-6-18(28-29(11)3)30-10-12(22)7-15(21(30)33)26-16-8-17(23-2)31-19(27-16)14(9-24-31)20(32)25-13-4-5-13/h6-10,13,23H,4-5H2,1-3H3,(H,25,32)(H,26,27).

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

N-cyclopropyl-5-[[1-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 451.47 g/mol, XLogP of 1.74, 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-(1,5-dimethylpyrazol-3-yl)-5-fluoro-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).