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

C22H27FN8O2 — CID 137449361

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

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449361) has the molecular formula C22H27FN8O2 and a molecular weight of 454.51 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137449361
• Molecular Formula: C22H27FN8O2
• Molecular Weight: 454.51 g/mol
• Exact Mass: 454.22
• IUPAC Name: N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3CCN(C)CC3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
• InChI: InChI=1S/C22H27FN8O2/c1-24-19-11-18(28-20-14(12-25-31(19)20)21(32)27-17-10-15(17)23)26-16-4-3-7-30(22(16)33)13-5-8-29(2)9-6-13/h3-4,7,11-13,15,17,24H,5-6,8-10H2,1-2H3,(H,26,28)(H,27,32)/t15-,17+/m1/s1
• InChIKey: RYJJHYVBJVYGMA-WBVHZDCISA-N
• XLogP: 1.78
• TPSA: 108.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.51
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449361) is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CCN(C)CC3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.

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

The InChIKey is RYJJHYVBJVYGMA-WBVHZDCISA-N. The full InChI is InChI=1S/C22H27FN8O2/c1-24-19-11-18(28-20-14(12-25-31(19)20)21(32)27-17-10-15(17)23)26-16-4-3-7-30(22(16)33)13-5-8-29(2)9-6-13/h3-4,7,11-13,15,17,24H,5-6,8-10H2,1-2H3,(H,26,28)(H,27,32)/t15-,17+/m1/s1.

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

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 454.51 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).