ethyl 5-amino-6-chloropyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 4-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate

C40H46Cl3N9O10 — CID 159968556

About ethyl 5-amino-6-chloropyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 4-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-amino-6-chloropyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 4-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 159968556) has the molecular formula C40H46Cl3N9O10 and a molecular weight of 919.22 g/mol. Its IUPAC name is ethyl 5-amino-6-chloropyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 4-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-amino-6-chloropyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 4-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
• PubChem CID: 159968556
• Molecular Formula: C40H46Cl3N9O10
• Molecular Weight: 919.22 g/mol
• Exact Mass: 917.24
• IUPAC Name: ethyl 5-amino-6-chloropyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 4-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1cnn2cc(Cl)c(N)cc12.CCOC(=O)c1cnn2cc(Cl)c(NC(=O)OC(C)(C)C)cc12.CCOC(=O)c1cnn2ccc(NC(=O)OC(C)(C)C)c(Cl)c12
• InChI: InChI=1S/2C15H18ClN3O4.C10H10ClN3O2/c1-5-22-13(20)9-7-17-19-8-10(16)11(6-12(9)19)18-14(21)23-15(2,3)4;1-5-22-13(20)9-8-17-19-7-6-10(11(16)12(9)19)18-14(21)23-15(2,3)4;1-2-16-10(15)6-4-13-14-5-7(11)8(12)3-9(6)14/h2*6-8H,5H2,1-4H3,(H,18,21);3-5H,2,12H2,1H3
• InChIKey: OEGBHOYNWYPVBI-UHFFFAOYSA-N
• XLogP: 8.77
• TPSA: 233.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	919.22
LogP ≤ 5	8.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-6-chloropyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 4-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?

The IUPAC name of ethyl 5-amino-6-chloropyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 4-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 159968556) is ethyl 5-amino-6-chloropyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 4-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate.

What is the SMILES notation for ethyl 5-amino-6-chloropyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 4-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?

The canonical SMILES for ethyl 5-amino-6-chloropyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 4-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2cc(Cl)c(N)cc12.CCOC(=O)c1cnn2cc(Cl)c(NC(=O)OC(C)(C)C)cc12.CCOC(=O)c1cnn2ccc(NC(=O)OC(C)(C)C)c(Cl)c12.

What is the InChIKey of ethyl 5-amino-6-chloropyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 4-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?

The InChIKey is OEGBHOYNWYPVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H18ClN3O4.C10H10ClN3O2/c1-5-22-13(20)9-7-17-19-8-10(16)11(6-12(9)19)18-14(21)23-15(2,3)4;1-5-22-13(20)9-8-17-19-7-6-10(11(16)12(9)19)18-14(21)23-15(2,3)4;1-2-16-10(15)6-4-13-14-5-7(11)8(12)3-9(6)14/h2*6-8H,5H2,1-4H3,(H,18,21);3-5H,2,12H2,1H3.

What are the key properties of ethyl 5-amino-6-chloropyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 4-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?

ethyl 5-amino-6-chloropyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 4-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 919.22 g/mol, XLogP of 8.77, 8 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-amino-6-chloropyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 4-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 159968556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).