3-O-tert-butyl 1-O-methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanedioate;5-chloro-6-phenylimidazo[1,5-a]pyridine;3-(6-chloro-5-phenyl-2-pyridinyl)propanal;methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid

C79H69Cl2N9O9 — CID 159970885

IUPAC3-O-tert-butyl 1-O-methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanedioate;5-chloro-6-phenylimidazo[1,5-a]pyridine;3-(6-chloro-5-phenyl-2-pyridinyl)propanal;methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid
SMILESCOC(=O)C(C(=O)OC(C)(C)C)c1c(-c2ccccc2)ccc2cncn12.COC(=O)Cc1c(-c2ccccc2)ccc2cncn12.Clc1c(-c2ccccc2)ccc2cncn12.O=C(O)Cc1c(-c2ccccc2)ccc2cncn12.O=CCCc1ccc(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C21H22N2O4.C16H14N2O2.C15H12N2O2.C14H12ClNO.C13H9ClN2/c1-21(2,3)27-20(25)17(19(24)26-4)18-16(14-8-6-5-7-9-14)11-10-15-12-22-13-23(15)18;1-20-16(19)9-15-14(12-5-3-2-4-6-12)8-7-13-10-17-11-18(13)15;18-15(19)8-14-13(11-4-2-1-3-5-11)7-6-12-9-16-10-17(12)14;15-14-13(11-5-2-1-3-6-11)9-8-12(16-14)7-4-10-17;14-13-12(10-4-2-1-3-5-10)7-6-11-8-15-9-16(11)13/h5-13,17H,1-4H3;2-8,10-11H,9H2,1H3;1-7,9-10H,8H2,(H,18,19);1-3,5-6,8-10H,4,7H2;1-9H
InChIKeyOENLXLPGGXOPBU-UHFFFAOYSA-N
MW1359.38 g/mol
LogP16.13
Rot. Bonds15

About 3-O-tert-butyl 1-O-methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanedioate;5-chloro-6-phenylimidazo[1,5-a]pyridine;3-(6-chloro-5-phenyl-2-pyridinyl)propanal;methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid

3-O-tert-butyl 1-O-methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanedioate;5-chloro-6-phenylimidazo[1,5-a]pyridine;3-(6-chloro-5-phenyl-2-pyridinyl)propanal;methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid (PubChem CID 159970885) has the molecular formula C79H69Cl2N9O9 and a molecular weight of 1359.38 g/mol. Its IUPAC name is 3-O-tert-butyl 1-O-methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanedioate;5-chloro-6-phenylimidazo[1,5-a]pyridine;3-(6-chloro-5-phenyl-2-pyridinyl)propanal;methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid.

Molecular Properties

Compound Name3-O-tert-butyl 1-O-methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanedioate;5-chloro-6-phenylimidazo[1,5-a]pyridine;3-(6-chloro-5-phenyl-2-pyridinyl)propanal;methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid
PubChem CID159970885
Molecular FormulaC79H69Cl2N9O9
Molecular Weight1359.38 g/mol
Exact Mass1357.46
IUPAC Name3-O-tert-butyl 1-O-methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanedioate;5-chloro-6-phenylimidazo[1,5-a]pyridine;3-(6-chloro-5-phenyl-2-pyridinyl)propanal;methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid
SMILESCOC(=O)C(C(=O)OC(C)(C)C)c1c(-c2ccccc2)ccc2cncn12.COC(=O)Cc1c(-c2ccccc2)ccc2cncn12.Clc1c(-c2ccccc2)ccc2cncn12.O=C(O)Cc1c(-c2ccccc2)ccc2cncn12.O=CCCc1ccc(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C21H22N2O4.C16H14N2O2.C15H12N2O2.C14H12ClNO.C13H9ClN2/c1-21(2,3)27-20(25)17(19(24)26-4)18-16(14-8-6-5-7-9-14)11-10-15-12-22-13-23(15)18;1-20-16(19)9-15-14(12-5-3-2-4-6-12)8-7-13-10-17-11-18(13)15;18-15(19)8-14-13(11-4-2-1-3-5-11)7-6-12-9-16-10-17(12)14;15-14-13(11-5-2-1-3-6-11)9-8-12(16-14)7-4-10-17;14-13-12(10-4-2-1-3-5-10)7-6-11-8-15-9-16(11)13/h5-13,17H,1-4H3;2-8,10-11H,9H2,1H3;1-7,9-10H,8H2,(H,18,19);1-3,5-6,8-10H,4,7H2;1-9H
InChIKeyOENLXLPGGXOPBU-UHFFFAOYSA-N
XLogP16.13
TPSA215.36 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001359.38
LogP ≤ 516.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-O-tert-butyl 1-O-methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanedioate;5-chloro-6-phenylimidazo[1,5-a]pyridine;3-(6-chloro-5-phenyl-2-pyridinyl)propanal;methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid 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

Ethyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;ethyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)butyl]benzonitrile;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanoic acid
CID 158877627
Carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;[4-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperazin-1-yl]methyl formate;2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetic acid;ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate;methane;1-propylpiperazine;hydrochloride
CID 160705204

Frequently Asked Questions

What is the IUPAC name of 3-O-tert-butyl 1-O-methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanedioate;5-chloro-6-phenylimidazo[1,5-a]pyridine;3-(6-chloro-5-phenyl-2-pyridinyl)propanal;methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid?
The IUPAC name of 3-O-tert-butyl 1-O-methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanedioate;5-chloro-6-phenylimidazo[1,5-a]pyridine;3-(6-chloro-5-phenyl-2-pyridinyl)propanal;methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid (CID 159970885) is 3-O-tert-butyl 1-O-methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanedioate;5-chloro-6-phenylimidazo[1,5-a]pyridine;3-(6-chloro-5-phenyl-2-pyridinyl)propanal;methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid.
What is the SMILES notation for 3-O-tert-butyl 1-O-methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanedioate;5-chloro-6-phenylimidazo[1,5-a]pyridine;3-(6-chloro-5-phenyl-2-pyridinyl)propanal;methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid?
The canonical SMILES for 3-O-tert-butyl 1-O-methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanedioate;5-chloro-6-phenylimidazo[1,5-a]pyridine;3-(6-chloro-5-phenyl-2-pyridinyl)propanal;methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid is COC(=O)C(C(=O)OC(C)(C)C)c1c(-c2ccccc2)ccc2cncn12.COC(=O)Cc1c(-c2ccccc2)ccc2cncn12.Clc1c(-c2ccccc2)ccc2cncn12.O=C(O)Cc1c(-c2ccccc2)ccc2cncn12.O=CCCc1ccc(-c2ccccc2)c(Cl)n1.
What is the InChIKey of 3-O-tert-butyl 1-O-methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanedioate;5-chloro-6-phenylimidazo[1,5-a]pyridine;3-(6-chloro-5-phenyl-2-pyridinyl)propanal;methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid?
The InChIKey is OENLXLPGGXOPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4.C16H14N2O2.C15H12N2O2.C14H12ClNO.C13H9ClN2/c1-21(2,3)27-20(25)17(19(24)26-4)18-16(14-8-6-5-7-9-14)11-10-15-12-22-13-23(15)18;1-20-16(19)9-15-14(12-5-3-2-4-6-12)8-7-13-10-17-11-18(13)15;18-15(19)8-14-13(11-4-2-1-3-5-11)7-6-12-9-16-10-17(12)14;15-14-13(11-5-2-1-3-6-11)9-8-12(16-14)7-4-10-17;14-13-12(10-4-2-1-3-5-10)7-6-11-8-15-9-16(11)13/h5-13,17H,1-4H3;2-8,10-11H,9H2,1H3;1-7,9-10H,8H2,(H,18,19);1-3,5-6,8-10H,4,7H2;1-9H.
What are the key properties of 3-O-tert-butyl 1-O-methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanedioate;5-chloro-6-phenylimidazo[1,5-a]pyridine;3-(6-chloro-5-phenyl-2-pyridinyl)propanal;methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid?
3-O-tert-butyl 1-O-methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanedioate;5-chloro-6-phenylimidazo[1,5-a]pyridine;3-(6-chloro-5-phenyl-2-pyridinyl)propanal;methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid has a molecular weight of 1359.38 g/mol, XLogP of 16.13, 15 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-tert-butyl 1-O-methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanedioate;5-chloro-6-phenylimidazo[1,5-a]pyridine;3-(6-chloro-5-phenyl-2-pyridinyl)propanal;methyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid is sourced from PubChem (CID 159970885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).