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

C28H28ClFN8O4 — CID 139487764

IUPACethyl 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
SMILESCCOC(=O)C(C)(C)Oc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
InChIInChI=1S/C28H28ClFN8O4/c1-4-41-27(40)28(2,3)42-22-9-17(16-5-6-16)11-37-12-18(33-25(22)37)13-38-14-21(34-35-38)26(39)31-10-20-24-23(30)19(29)7-8-36(24)15-32-20/h7-9,11-12,14-16H,4-6,10,13H2,1-3H3,(H,31,39)
InChIKeyMZULJSVETYOZBO-UHFFFAOYSA-N
MW595.04 g/mol
LogP3.94
Rot. Bonds10

About 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

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 (PubChem CID 139487764) has the molecular formula C28H28ClFN8O4 and a molecular weight of 595.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl 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
PubChem CID139487764
Molecular FormulaC28H28ClFN8O4
Molecular Weight595.04 g/mol
Exact Mass594.19
IUPAC Nameethyl 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
SMILESCCOC(=O)C(C)(C)Oc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
InChIInChI=1S/C28H28ClFN8O4/c1-4-41-27(40)28(2,3)42-22-9-17(16-5-6-16)11-37-12-18(33-25(22)37)13-38-14-21(34-35-38)26(39)31-10-20-24-23(30)19(29)7-8-36(24)15-32-20/h7-9,11-12,14-16H,4-6,10,13H2,1-3H3,(H,31,39)
InChIKeyMZULJSVETYOZBO-UHFFFAOYSA-N
XLogP3.94
TPSA129.94 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.04
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 139487408
CID 139487408
CID 139487470
CID 139487470
CID 139487528
CID 139487528
CID 139487545
CID 139487545
CID 139487648
CID 139487648
CID 139487695
CID 139487695
CID 139487720
CID 139487720
CID 139487777
CID 139487777
CID 139488099
CID 139488099
CID 156152054
CID 156152054
CID 139505265
CID 139505265
CID 156151941
CID 156151941

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)C(C)(C)Oc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.
What is the InChIKey of 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?
The InChIKey is MZULJSVETYOZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClFN8O4/c1-4-41-27(40)28(2,3)42-22-9-17(16-5-6-16)11-37-12-18(33-25(22)37)13-38-14-21(34-35-38)26(39)31-10-20-24-23(30)19(29)7-8-36(24)15-32-20/h7-9,11-12,14-16H,4-6,10,13H2,1-3H3,(H,31,39).
What are the key properties of 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?
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 has a molecular weight of 595.04 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139487764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).