1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;ethyl 3-amino-2-oxopropanoate;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-1,2,4-triazole-3-carboxylate

C54H51Cl2F2N21O7 — CID 158969584

About 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;ethyl 3-amino-2-oxopropanoate;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-1,2,4-triazole-3-carboxylate

1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;ethyl 3-amino-2-oxopropanoate;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-1,2,4-triazole-3-carboxylate (PubChem CID 158969584) has the molecular formula C54H51Cl2F2N21O7 and a molecular weight of 1215.04 g/mol. Its IUPAC name is 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;ethyl 3-amino-2-oxopropanoate;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-1,2,4-triazole-3-carboxylate.

Molecular Properties

• Compound Name: 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;ethyl 3-amino-2-oxopropanoate;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-1,2,4-triazole-3-carboxylate
• PubChem CID: 158969584
• Molecular Formula: C54H51Cl2F2N21O7
• Molecular Weight: 1215.04 g/mol
• Exact Mass: 1213.36
• IUPAC Name: 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;ethyl 3-amino-2-oxopropanoate;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-1,2,4-triazole-3-carboxylate
• SMILES: CCOC(=O)C(=O)CN.CCOC(=O)c1nncn1-c1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.Nc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
• InChI: InChI=1S/C27H23ClFN11O3.C22H19ClFN9O.C5H9NO3/c1-2-43-27(42)25-35-32-14-40(25)21-7-16(15-3-4-15)9-38-10-17(33-24(21)38)11-39-12-20(34-36-39)26(41)30-8-19-23-22(29)18(28)5-6-37(23)13-31-19;23-15-3-4-31-11-27-17(20(31)19(15)24)6-26-22(34)18-10-33(30-29-18)9-14-8-32-7-13(12-1-2-12)5-16(25)21(32)28-14;1-2-9-5(8)4(7)3-6/h5-7,9-10,12-15H,2-4,8,11H2,1H3,(H,30,41);3-5,7-8,10-12H,1-2,6,9,25H2,(H,26,34);2-3,6H2,1H3
• InChIKey: JNQCNUKHPBUQKF-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 341.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1215.04
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;ethyl 3-amino-2-oxopropanoate;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-1,2,4-triazole-3-carboxylate?

The IUPAC name of 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;ethyl 3-amino-2-oxopropanoate;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-1,2,4-triazole-3-carboxylate (CID 158969584) is 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;ethyl 3-amino-2-oxopropanoate;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-1,2,4-triazole-3-carboxylate.

What is the SMILES notation for 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;ethyl 3-amino-2-oxopropanoate;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-1,2,4-triazole-3-carboxylate?

The canonical SMILES for 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;ethyl 3-amino-2-oxopropanoate;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-1,2,4-triazole-3-carboxylate is CCOC(=O)C(=O)CN.CCOC(=O)c1nncn1-c1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.Nc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.

What is the InChIKey of 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;ethyl 3-amino-2-oxopropanoate;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-1,2,4-triazole-3-carboxylate?

The InChIKey is JNQCNUKHPBUQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClFN11O3.C22H19ClFN9O.C5H9NO3/c1-2-43-27(42)25-35-32-14-40(25)21-7-16(15-3-4-15)9-38-10-17(33-24(21)38)11-39-12-20(34-36-39)26(41)30-8-19-23-22(29)18(28)5-6-37(23)13-31-19;23-15-3-4-31-11-27-17(20(31)19(15)24)6-26-22(34)18-10-33(30-29-18)9-14-8-32-7-13(12-1-2-12)5-16(25)21(32)28-14;1-2-9-5(8)4(7)3-6/h5-7,9-10,12-15H,2-4,8,11H2,1H3,(H,30,41);3-5,7-8,10-12H,1-2,6,9,25H2,(H,26,34);2-3,6H2,1H3.

What are the key properties of 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;ethyl 3-amino-2-oxopropanoate;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-1,2,4-triazole-3-carboxylate?

1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;ethyl 3-amino-2-oxopropanoate;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-1,2,4-triazole-3-carboxylate has a molecular weight of 1215.04 g/mol, XLogP of 4.86, 18 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(8-amino-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide;ethyl 3-amino-2-oxopropanoate;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 158969584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).