ethyl 2-amino-5-[[2-chloro-6-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyphenyl]methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C24H31ClN6O5 — CID 146617355

About ethyl 2-amino-5-[[2-chloro-6-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyphenyl]methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 2-amino-5-[[2-chloro-6-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyphenyl]methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 146617355) has the molecular formula C24H31ClN6O5 and a molecular weight of 519.00 g/mol. Its IUPAC name is ethyl 2-amino-5-[[2-chloro-6-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyphenyl]methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-amino-5-[[2-chloro-6-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyphenyl]methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
• PubChem CID: 146617355
• Molecular Formula: C24H31ClN6O5
• Molecular Weight: 519.00 g/mol
• Exact Mass: 518.20
• IUPAC Name: ethyl 2-amino-5-[[2-chloro-6-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyphenyl]methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
• SMILES: CCOC(=O)c1c(N)nn2ccc(NCc3c(Cl)cccc3O[C@@H](C)CNC(=O)OC(C)(C)C)nc12
• InChI: InChI=1S/C24H31ClN6O5/c1-6-34-22(32)19-20(26)30-31-11-10-18(29-21(19)31)27-13-15-16(25)8-7-9-17(15)35-14(2)12-28-23(33)36-24(3,4)5/h7-11,14H,6,12-13H2,1-5H3,(H2,26,30)(H,27,29)(H,28,33)/t14-/m0/s1
• InChIKey: SGKWPILEJLDZLB-AWEZNQCLSA-N
• XLogP: 4.05
• TPSA: 142.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.00
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-[[2-chloro-6-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyphenyl]methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The IUPAC name of ethyl 2-amino-5-[[2-chloro-6-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyphenyl]methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 146617355) is ethyl 2-amino-5-[[2-chloro-6-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyphenyl]methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

What is the SMILES notation for ethyl 2-amino-5-[[2-chloro-6-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyphenyl]methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The canonical SMILES for ethyl 2-amino-5-[[2-chloro-6-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyphenyl]methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(N)nn2ccc(NCc3c(Cl)cccc3O[C@@H](C)CNC(=O)OC(C)(C)C)nc12.

What is the InChIKey of ethyl 2-amino-5-[[2-chloro-6-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyphenyl]methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The InChIKey is SGKWPILEJLDZLB-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H31ClN6O5/c1-6-34-22(32)19-20(26)30-31-11-10-18(29-21(19)31)27-13-15-16(25)8-7-9-17(15)35-14(2)12-28-23(33)36-24(3,4)5/h7-11,14H,6,12-13H2,1-5H3,(H2,26,30)(H,27,29)(H,28,33)/t14-/m0/s1.

What are the key properties of ethyl 2-amino-5-[[2-chloro-6-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyphenyl]methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

ethyl 2-amino-5-[[2-chloro-6-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyphenyl]methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 519.00 g/mol, XLogP of 4.05, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-amino-5-[[2-chloro-6-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyphenyl]methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 146617355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).