ethyl 5-[[1-[5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methoxy]-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C26H31FN6O5 — CID 155682336

About ethyl 5-[[1-[5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methoxy]-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-[[1-[5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methoxy]-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 155682336) has the molecular formula C26H31FN6O5 and a molecular weight of 526.57 g/mol. Its IUPAC name is ethyl 5-[[1-[5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methoxy]-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[[1-[5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methoxy]-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
• PubChem CID: 155682336
• Molecular Formula: C26H31FN6O5
• Molecular Weight: 526.57 g/mol
• Exact Mass: 526.23
• IUPAC Name: ethyl 5-[[1-[5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methoxy]-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
• SMILES: CCOC(=O)c1cnn2ccc(NC3(c4cc(F)cnc4OCC4(NC(=O)OC(C)(C)C)CC4)CC3)nc12
• InChI: InChI=1S/C26H31FN6O5/c1-5-36-22(34)17-14-29-33-11-6-19(30-20(17)33)31-26(9-10-26)18-12-16(27)13-28-21(18)37-15-25(7-8-25)32-23(35)38-24(2,3)4/h6,11-14H,5,7-10,15H2,1-4H3,(H,30,31)(H,32,35)
• InChIKey: TZWSVWAKAMSUPW-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 128.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.57
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[1-[5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methoxy]-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The IUPAC name of ethyl 5-[[1-[5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methoxy]-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 155682336) is ethyl 5-[[1-[5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methoxy]-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

What is the SMILES notation for ethyl 5-[[1-[5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methoxy]-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The canonical SMILES for ethyl 5-[[1-[5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methoxy]-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2ccc(NC3(c4cc(F)cnc4OCC4(NC(=O)OC(C)(C)C)CC4)CC3)nc12.

What is the InChIKey of ethyl 5-[[1-[5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methoxy]-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The InChIKey is TZWSVWAKAMSUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O5/c1-5-36-22(34)17-14-29-33-11-6-19(30-20(17)33)31-26(9-10-26)18-12-16(27)13-28-21(18)37-15-25(7-8-25)32-23(35)38-24(2,3)4/h6,11-14H,5,7-10,15H2,1-4H3,(H,30,31)(H,32,35).

What are the key properties of ethyl 5-[[1-[5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methoxy]-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

ethyl 5-[[1-[5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methoxy]-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 526.57 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[[1-[5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methoxy]-3-pyridinyl]cyclopropyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 155682336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).