ethyl 2-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-7-yl]oxyacetate;hydrochloride

C19H20ClN3O5 — CID 11851979

IUPACethyl 2-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-7-yl]oxyacetate;hydrochloride
SMILESCCOC(=O)COc1ccn2c(C(=O)c3ccc(N)c(OC)c3)ncc2c1.Cl
InChIInChI=1S/C19H19N3O5.ClH/c1-3-26-17(23)11-27-14-6-7-22-13(9-14)10-21-19(22)18(24)12-4-5-15(20)16(8-12)25-2;/h4-10H,3,11,20H2,1-2H3;1H
InChIKeyUDJPHCYKQBKVCQ-UHFFFAOYSA-N
MW405.84 g/mol
LogP2.52
Rot. Bonds7

About ethyl 2-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-7-yl]oxyacetate;hydrochloride

ethyl 2-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-7-yl]oxyacetate;hydrochloride (PubChem CID 11851979) has the molecular formula C19H20ClN3O5 and a molecular weight of 405.84 g/mol. Its IUPAC name is ethyl 2-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-7-yl]oxyacetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-7-yl]oxyacetate;hydrochloride
PubChem CID11851979
Molecular FormulaC19H20ClN3O5
Molecular Weight405.84 g/mol
Exact Mass405.11
IUPAC Nameethyl 2-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-7-yl]oxyacetate;hydrochloride
SMILESCCOC(=O)COc1ccn2c(C(=O)c3ccc(N)c(OC)c3)ncc2c1.Cl
InChIInChI=1S/C19H19N3O5.ClH/c1-3-26-17(23)11-27-14-6-7-22-13(9-14)10-21-19(22)18(24)12-4-5-15(20)16(8-12)25-2;/h4-10H,3,11,20H2,1-2H3;1H
InChIKeyUDJPHCYKQBKVCQ-UHFFFAOYSA-N
XLogP2.52
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3-methoxyphenyl)-[8-[2-(dimethylamino)ethoxy]imidazo[1,5-a]pyridin-3-yl]methanone;hydrochloride
CID 11851973
ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride
CID 70346506
2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 107077178
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
diethyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]pentanedioate
CID 67926864
ethyl 2-(2-amino-5-chlorophenoxy)acetate
CID 62305338
ethyl 2-[4-(2-bromoethyl)-3-methoxyphenoxy]acetate
CID 18620082
potassium;4-(2-ethoxy-2-oxoethoxy)-2-methoxybenzenesulfonic acid;hydride
CID 173316311
ethyl 2-[4-amino-3-(1,3-dioxolan-2-yl)phenoxy]acetate
CID 10611863
methyl 4-amino-3-methoxybenzoate
CID 602411
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
ethyl 2-(3,4,5-trimethylphenoxy)acetate
CID 141147627

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-7-yl]oxyacetate;hydrochloride?
The IUPAC name of ethyl 2-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-7-yl]oxyacetate;hydrochloride (CID 11851979) is ethyl 2-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-7-yl]oxyacetate;hydrochloride.
What is the SMILES notation for ethyl 2-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-7-yl]oxyacetate;hydrochloride?
The canonical SMILES for ethyl 2-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-7-yl]oxyacetate;hydrochloride is CCOC(=O)COc1ccn2c(C(=O)c3ccc(N)c(OC)c3)ncc2c1.Cl.
What is the InChIKey of ethyl 2-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-7-yl]oxyacetate;hydrochloride?
The InChIKey is UDJPHCYKQBKVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5.ClH/c1-3-26-17(23)11-27-14-6-7-22-13(9-14)10-21-19(22)18(24)12-4-5-15(20)16(8-12)25-2;/h4-10H,3,11,20H2,1-2H3;1H.
What are the key properties of ethyl 2-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-7-yl]oxyacetate;hydrochloride?
ethyl 2-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-7-yl]oxyacetate;hydrochloride has a molecular weight of 405.84 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-7-yl]oxyacetate;hydrochloride is sourced from PubChem (CID 11851979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).