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

C29H32N8O4 — CID 139498747

IUPACethyl 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
SMILESCCOC(=O)C(C)(C)Oc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(C)cc45)nn3)nc12
InChIInChI=1S/C29H32N8O4/c1-5-40-28(39)29(3,4)41-25-11-20(19-6-7-19)13-36-14-21(32-26(25)36)15-37-16-23(33-34-37)27(38)30-12-22-24-10-18(2)8-9-35(24)17-31-22/h8-11,13-14,16-17,19H,5-7,12,15H2,1-4H3,(H,30,38)
InChIKeyGENYRGIWWNYMRH-UHFFFAOYSA-N
MW556.63 g/mol
LogP3.46
Rot. Bonds10

About 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

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 (PubChem CID 139498747) has the molecular formula C29H32N8O4 and a molecular weight of 556.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl 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
PubChem CID139498747
Molecular FormulaC29H32N8O4
Molecular Weight556.63 g/mol
Exact Mass556.25
IUPAC Nameethyl 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
SMILESCCOC(=O)C(C)(C)Oc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(C)cc45)nn3)nc12
InChIInChI=1S/C29H32N8O4/c1-5-40-28(39)29(3,4)41-25-11-20(19-6-7-19)13-36-14-21(32-26(25)36)15-37-16-23(33-34-37)27(38)30-12-22-24-10-18(2)8-9-35(24)17-31-22/h8-11,13-14,16-17,19H,5-7,12,15H2,1-4H3,(H,30,38)
InChIKeyGENYRGIWWNYMRH-UHFFFAOYSA-N
XLogP3.46
TPSA129.94 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.63
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)C(C)(C)Oc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(C)cc45)nn3)nc12.
What is the InChIKey of 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?
The InChIKey is GENYRGIWWNYMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O4/c1-5-40-28(39)29(3,4)41-25-11-20(19-6-7-19)13-36-14-21(32-26(25)36)15-37-16-23(33-34-37)27(38)30-12-22-24-10-18(2)8-9-35(24)17-31-22/h8-11,13-14,16-17,19H,5-7,12,15H2,1-4H3,(H,30,38).
What are the key properties of 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?
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 has a molecular weight of 556.63 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139498747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).