tert-butyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoic acid;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylic acid;ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride

C98H98Cl4F3N29O14 — CID 157422655

About tert-butyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoic acid;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylic acid;ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride

tert-butyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoic acid;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylic acid;ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride (PubChem CID 157422655) has the molecular formula C98H98Cl4F3N29O14 and a molecular weight of 2104.86 g/mol. Its IUPAC name is tert-butyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoic acid;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylic acid;ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoic acid;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylic acid;ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride
• PubChem CID: 157422655
• Molecular Formula: C98H98Cl4F3N29O14
• Molecular Weight: 2104.86 g/mol
• Exact Mass: 2101.66
• IUPAC Name: tert-butyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoic acid;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylic acid;ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride
• SMILES: CCOC(=O)CC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)nn1.CCOC(=O)CC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)O)nn1.CCOC(=O)CC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)OC(C)(C)C)nn1.Cl.NCc1ncn2ccc(Cl)c(F)c12.O=C(O)CC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)nn1
• InChI: InChI=1S/C26H24ClFN8O3.C24H20ClFN8O3.C22H27N5O4.C18H19N5O4.C8H7ClFN3.ClH/c1-2-39-23(37)9-21(19-12-35-11-16(15-3-4-15)5-6-22(35)31-19)36-13-20(32-33-36)26(38)29-10-18-25-24(28)17(27)7-8-34(25)14-30-18;25-15-5-6-32-12-28-16(23(32)22(15)26)8-27-24(37)18-11-34(31-30-18)19(7-21(35)36)17-10-33-9-14(13-1-2-13)3-4-20(33)29-17;1-5-30-20(28)10-18(27-13-17(24-25-27)21(29)31-22(2,3)4)16-12-26-11-15(14-6-7-14)8-9-19(26)23-16;1-2-27-17(24)7-15(23-10-14(18(25)26)20-21-23)13-9-22-8-12(11-3-4-11)5-6-16(22)19-13;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;/h5-8,11-15,21H,2-4,9-10H2,1H3,(H,29,38);3-6,9-13,19H,1-2,7-8H2,(H,27,37)(H,35,36);8-9,11-14,18H,5-7,10H2,1-4H3;5-6,8-11,15H,2-4,7H2,1H3,(H,25,26);1-2,4H,3,11H2;1H
• InChIKey: RYHKWEMSEQSERY-UHFFFAOYSA-N
• XLogP: 14.31
• TPSA: 507.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 32
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2104.86
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoic acid;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylic acid;ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride?

The IUPAC name of tert-butyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoic acid;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylic acid;ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride (CID 157422655) is tert-butyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoic acid;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylic acid;ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride.

What is the SMILES notation for tert-butyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoic acid;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylic acid;ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride?

The canonical SMILES for tert-butyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoic acid;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylic acid;ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride is CCOC(=O)CC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)nn1.CCOC(=O)CC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)O)nn1.CCOC(=O)CC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)OC(C)(C)C)nn1.Cl.NCc1ncn2ccc(Cl)c(F)c12.O=C(O)CC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)nn1.

What is the InChIKey of tert-butyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoic acid;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylic acid;ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride?

The InChIKey is RYHKWEMSEQSERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN8O3.C24H20ClFN8O3.C22H27N5O4.C18H19N5O4.C8H7ClFN3.ClH/c1-2-39-23(37)9-21(19-12-35-11-16(15-3-4-15)5-6-22(35)31-19)36-13-20(32-33-36)26(38)29-10-18-25-24(28)17(27)7-8-34(25)14-30-18;25-15-5-6-32-12-28-16(23(32)22(15)26)8-27-24(37)18-11-34(31-30-18)19(7-21(35)36)17-10-33-9-14(13-1-2-13)3-4-20(33)29-17;1-5-30-20(28)10-18(27-13-17(24-25-27)21(29)31-22(2,3)4)16-12-26-11-15(14-6-7-14)8-9-19(26)23-16;1-2-27-17(24)7-15(23-10-14(18(25)26)20-21-23)13-9-22-8-12(11-3-4-11)5-6-16(22)19-13;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;/h5-8,11-15,21H,2-4,9-10H2,1H3,(H,29,38);3-6,9-13,19H,1-2,7-8H2,(H,27,37)(H,35,36);8-9,11-14,18H,5-7,10H2,1-4H3;5-6,8-11,15H,2-4,7H2,1H3,(H,25,26);1-2,4H,3,11H2;1H.

What are the key properties of tert-butyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoic acid;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylic acid;ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride?

tert-butyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoic acid;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylic acid;ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride has a molecular weight of 2104.86 g/mol, XLogP of 14.31, 32 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoic acid;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-ethoxy-3-oxopropyl]triazole-4-carboxylic acid;ethyl 3-[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]-3-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride is sourced from PubChem (CID 157422655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).