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

C22H21FN8O3 — CID 137449721

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

N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449721) has the molecular formula C22H21FN8O3 and a molecular weight of 464.46 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137449721
• Molecular Formula: C22H21FN8O3
• Molecular Weight: 464.46 g/mol
• Exact Mass: 464.17
• IUPAC Name: N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(-c3ccc(OC)cn3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
• InChI: InChI=1S/C22H21FN8O3/c1-24-19-9-17(29-20-13(11-26-31(19)20)21(32)28-16-8-14(16)23)27-15-4-3-7-30(22(15)33)18-6-5-12(34-2)10-25-18/h3-7,9-11,14,16,24H,8H2,1-2H3,(H,27,29)(H,28,32)/t14-,16+/m1/s1
• InChIKey: YEIOFOSCDSOCOP-ZBFHGGJFSA-N
• XLogP: 1.91
• TPSA: 127.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.46
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449721) is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3ccc(OC)cn3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.

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

The InChIKey is YEIOFOSCDSOCOP-ZBFHGGJFSA-N. The full InChI is InChI=1S/C22H21FN8O3/c1-24-19-9-17(29-20-13(11-26-31(19)20)21(32)28-16-8-14(16)23)27-15-4-3-7-30(22(15)33)18-6-5-12(34-2)10-25-18/h3-7,9-11,14,16,24H,8H2,1-2H3,(H,27,29)(H,28,32)/t14-,16+/m1/s1.

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

N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 464.46 g/mol, XLogP of 1.91, 7 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]-5-[[1-(5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).