N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H24FN9O2 — CID 137449726

About N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449726) has the molecular formula C22H24FN9O2 and a molecular weight of 465.49 g/mol. Its IUPAC name is N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137449726
• Molecular Formula: C22H24FN9O2
• Molecular Weight: 465.49 g/mol
• Exact Mass: 465.20
• IUPAC Name: N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(-c3nn(C)c(C)c3C)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
• InChI: InChI=1S/C22H24FN9O2/c1-11-12(2)30(4)29-19(11)31-7-5-6-15(22(31)34)26-17-9-18(24-3)32-20(28-17)13(10-25-32)21(33)27-16-8-14(16)23/h5-7,9-10,14,16,24H,8H2,1-4H3,(H,26,28)(H,27,33)/t14-,16+/m0/s1
• InChIKey: UAZXWQFALUUPRI-GOEBONIOSA-N
• XLogP: 1.86
• TPSA: 123.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.49
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449726) is N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3nn(C)c(C)c3C)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.

What is the InChIKey of N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is UAZXWQFALUUPRI-GOEBONIOSA-N. The full InChI is InChI=1S/C22H24FN9O2/c1-11-12(2)30(4)29-19(11)31-7-5-6-15(22(31)34)26-17-9-18(24-3)32-20(28-17)13(10-25-32)21(33)27-16-8-14(16)23/h5-7,9-10,14,16,24H,8H2,1-4H3,(H,26,28)(H,27,33)/t14-,16+/m0/s1.

What are the key properties of N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).