tert-butyl 2-[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]oxy-2-methylpropanoate;2-[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]oxy-2-methylpropanoic acid

C56H56Cl2F2N16O8 — CID 160775800

IUPACtert-butyl 2-[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]oxy-2-methylpropanoate;2-[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]oxy-2-methylpropanoic acid
SMILESCC(C)(C)OC(=O)C(C)(C)Oc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.CC(C)(Oc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12)C(=O)O
InChIInChI=1S/C30H32ClFN8O4.C26H24ClFN8O4/c1-29(2,3)44-28(42)30(4,5)43-23-10-18(17-6-7-17)12-39-13-19(35-26(23)39)14-40-15-22(36-37-40)27(41)33-11-21-25-24(32)20(31)8-9-38(25)16-34-21;1-26(2,25(38)39)40-20-7-15(14-3-4-14)9-35-10-16(31-23(20)35)11-36-12-19(32-33-36)24(37)29-8-18-22-21(28)17(27)5-6-34(22)13-30-18/h8-10,12-13,15-17H,6-7,11,14H2,1-5H3,(H,33,41);5-7,9-10,12-14H,3-4,8,11H2,1-2H3,(H,29,37)(H,38,39)
InChIKeyRZXSFCQBBPMUJH-UHFFFAOYSA-N
MW1190.07 g/mol
LogP8.18
Rot. Bonds18

About tert-butyl 2-[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]oxy-2-methylpropanoate;2-[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]oxy-2-methylpropanoic acid

tert-butyl 2-[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]oxy-2-methylpropanoate;2-[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]oxy-2-methylpropanoic acid (PubChem CID 160775800) has the molecular formula C56H56Cl2F2N16O8 and a molecular weight of 1190.07 g/mol. Its IUPAC name is tert-butyl 2-[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]oxy-2-methylpropanoate;2-[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]oxy-2-methylpropanoic acid.

Molecular Properties

Compound Nametert-butyl 2-[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]oxy-2-methylpropanoate;2-[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]oxy-2-methylpropanoic acid
PubChem CID160775800
Molecular FormulaC56H56Cl2F2N16O8
Molecular Weight1190.07 g/mol
Exact Mass1188.38
IUPAC Nametert-butyl 2-[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]oxy-2-methylpropanoate;2-[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]oxy-2-methylpropanoic acid
SMILESCC(C)(C)OC(=O)C(C)(C)Oc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.CC(C)(Oc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12)C(=O)O
InChIInChI=1S/C30H32ClFN8O4.C26H24ClFN8O4/c1-29(2,3)44-28(42)30(4,5)43-23-10-18(17-6-7-17)12-39-13-19(35-26(23)39)14-40-15-22(36-37-40)27(41)33-11-21-25-24(32)20(31)8-9-38(25)16-34-21;1-26(2,25(38)39)40-20-7-15(14-3-4-14)9-35-10-16(31-23(20)35)11-36-12-19(32-33-36)24(37)29-8-18-22-21(28)17(27)5-6-34(22)13-30-18/h8-10,12-13,15-17H,6-7,11,14H2,1-5H3,(H,33,41);5-7,9-10,12-14H,3-4,8,11H2,1-2H3,(H,29,37)(H,38,39)
InChIKeyRZXSFCQBBPMUJH-UHFFFAOYSA-N
XLogP8.18
TPSA270.88 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001190.07
LogP ≤ 58.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze tert-butyl 2-[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]oxy-2-methylpropanoate;2-[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]oxy-2-methylpropanoic acid with MolForge

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Related Compounds

2-[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]oxyacetic acid
CID 139487408
Ethyl 2-[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]oxyacetate
CID 139487470
Tert-butyl 2-[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]oxy-2-methylpropanoate
CID 139487720
Ethyl 2-[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]oxy-2-methylpropanoate
CID 139487764
2-[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]oxy-2-methylpropanoic acid
CID 139488099
2-[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]oxybutanoic acid
CID 139491337
tert-butyl 2-[2-[[amino-[(Z)-2-amino-3-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]-3-oxoprop-1-enyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxy-2-methylpropanoate
CID 139505320
2-[2-[[4-[(7-chloro-8-fluoro-2-methyl-3H-imidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxy-2-methylpropanoic acid
CID 163987300
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-ethoxyimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
CID 164121076
Ethyl 2-[6-cyclopropyl-2-[[4-[(7-methylimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]oxy-2-methylpropanoate
CID 139498747
2-Amino-5-chloropyridin-3-ol;tert-butyl 1-[[6-chloro-8-(2-ethoxy-2-oxoethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;1,3-dichloropropan-2-one;ethyl 2-[(2-amino-5-chloro-3-pyridinyl)oxy]acetate;ethyl 2-[2-(azidomethyl)-6-chloroimidazo[1,2-a]pyridin-8-yl]oxyacetate;ethyl 2-bromoacetate;ethyl 2-[6-chloro-2-(chloromethyl)imidazo[1,2-a]pyridin-8-yl]oxyacetate;hydrochloride
CID 157308518
2-Amino-5-chloropyridin-3-ol;benzyl 1-[[6-chloro-8-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;benzyl prop-2-ynoate;tert-butyl 2-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-methylpropanoate;tert-butyl 2-[2-(azidomethyl)-6-chloroimidazo[1,2-a]pyridin-8-yl]oxy-2-methylpropanoate;tert-butyl 2-bromo-2-methylpropanoate;tert-butyl 2-[6-chloro-2-(chloromethyl)imidazo[1,2-a]pyridin-8-yl]oxy-2-methylpropanoate;cyclopropylboronic acid;1,3-dichloropropan-2-one
CID 157347789

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[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]oxy-2-methylpropanoate;2-[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]oxy-2-methylpropanoic acid?
The IUPAC name of tert-butyl 2-[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]oxy-2-methylpropanoate;2-[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]oxy-2-methylpropanoic acid (CID 160775800) is tert-butyl 2-[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]oxy-2-methylpropanoate;2-[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]oxy-2-methylpropanoic acid.
What is the SMILES notation for tert-butyl 2-[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]oxy-2-methylpropanoate;2-[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]oxy-2-methylpropanoic acid?
The canonical SMILES for tert-butyl 2-[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]oxy-2-methylpropanoate;2-[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]oxy-2-methylpropanoic acid is CC(C)(C)OC(=O)C(C)(C)Oc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.CC(C)(Oc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12)C(=O)O.
What is the InChIKey of tert-butyl 2-[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]oxy-2-methylpropanoate;2-[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]oxy-2-methylpropanoic acid?
The InChIKey is RZXSFCQBBPMUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClFN8O4.C26H24ClFN8O4/c1-29(2,3)44-28(42)30(4,5)43-23-10-18(17-6-7-17)12-39-13-19(35-26(23)39)14-40-15-22(36-37-40)27(41)33-11-21-25-24(32)20(31)8-9-38(25)16-34-21;1-26(2,25(38)39)40-20-7-15(14-3-4-14)9-35-10-16(31-23(20)35)11-36-12-19(32-33-36)24(37)29-8-18-22-21(28)17(27)5-6-34(22)13-30-18/h8-10,12-13,15-17H,6-7,11,14H2,1-5H3,(H,33,41);5-7,9-10,12-14H,3-4,8,11H2,1-2H3,(H,29,37)(H,38,39).
What are the key properties of tert-butyl 2-[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]oxy-2-methylpropanoate;2-[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]oxy-2-methylpropanoic acid?
tert-butyl 2-[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]oxy-2-methylpropanoate;2-[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]oxy-2-methylpropanoic acid has a molecular weight of 1190.07 g/mol, XLogP of 8.18, 18 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[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]oxy-2-methylpropanoate;2-[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]oxy-2-methylpropanoic acid is sourced from PubChem (CID 160775800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).