ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C19H22FN5O3 — CID 118265551

About ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 118265551) has the molecular formula C19H22FN5O3 and a molecular weight of 387.42 g/mol. Its IUPAC name is ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
• PubChem CID: 118265551
• Molecular Formula: C19H22FN5O3
• Molecular Weight: 387.42 g/mol
• Exact Mass: 387.17
• IUPAC Name: ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
• SMILES: CCOC(=O)c1cnn2ccc(N(Cc3cc(F)cnc3OC)C(C)C)nc12
• InChI: InChI=1S/C19H22FN5O3/c1-5-28-19(26)15-10-22-25-7-6-16(23-17(15)25)24(12(2)3)11-13-8-14(20)9-21-18(13)27-4/h6-10,12H,5,11H2,1-4H3
• InChIKey: RUSXZVXBAVDHPO-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 81.85 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.42
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The IUPAC name of ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 118265551) is ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

What is the SMILES notation for ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The canonical SMILES for ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2ccc(N(Cc3cc(F)cnc3OC)C(C)C)nc12.

What is the InChIKey of ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The InChIKey is RUSXZVXBAVDHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O3/c1-5-28-19(26)15-10-22-25-7-6-16(23-17(15)25)24(12(2)3)11-13-8-14(20)9-21-18(13)27-4/h6-10,12H,5,11H2,1-4H3.

What are the key properties of ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 387.42 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 118265551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).