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

C20H20FN9O2 — CID 137449350

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

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449350) has the molecular formula C20H20FN9O2 and a molecular weight of 437.44 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpyrazol-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-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137449350
• Molecular Formula: C20H20FN9O2
• Molecular Weight: 437.44 g/mol
• Exact Mass: 437.17
• IUPAC Name: N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(-c3cnn(C)c3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
• InChI: InChI=1S/C20H20FN9O2/c1-22-17-7-16(25-14-4-3-5-29(20(14)32)11-8-23-28(2)10-11)27-18-12(9-24-30(17)18)19(31)26-15-6-13(15)21/h3-5,7-10,13,15,22H,6H2,1-2H3,(H,25,27)(H,26,31)/t13-,15+/m1/s1
• InChIKey: IZCUIHFZVAPPCS-HIFRSBDPSA-N
• XLogP: 1.24
• 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	437.44
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpyrazol-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-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449350) is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpyrazol-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-methylpyrazol-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-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3cnn(C)c3)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-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is IZCUIHFZVAPPCS-HIFRSBDPSA-N. The full InChI is InChI=1S/C20H20FN9O2/c1-22-17-7-16(25-14-4-3-5-29(20(14)32)11-8-23-28(2)10-11)27-18-12(9-24-30(17)18)19(31)26-15-6-13(15)21/h3-5,7-10,13,15,22H,6H2,1-2H3,(H,25,27)(H,26,31)/t13-,15+/m1/s1.

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

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 437.44 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).