ethyl 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C23H26N4O5 — CID 26134900

IUPACethyl 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(C(=O)c1c(C)noc1C)CC2
InChIInChI=1S/C23H26N4O5/c1-5-31-23(29)21-18-13-26(22(28)20-14(2)25-32-15(20)3)10-9-19(18)27(24-21)12-16-7-6-8-17(11-16)30-4/h6-8,11H,5,9-10,12-13H2,1-4H3
InChIKeyHXYZITJVTIAABS-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.92
Rot. Bonds6

About ethyl 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26134900) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is ethyl 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26134900
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Nameethyl 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(C(=O)c1c(C)noc1C)CC2
InChIInChI=1S/C23H26N4O5/c1-5-31-23(29)21-18-13-26(22(28)20-14(2)25-32-15(20)3)10-9-19(18)27(24-21)12-16-7-6-8-17(11-16)30-4/h6-8,11H,5,9-10,12-13H2,1-4H3
InChIKeyHXYZITJVTIAABS-UHFFFAOYSA-N
XLogP2.92
TPSA99.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 1,5-bis[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26223172
ethyl 1-benzyl-5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26134348
ethyl 5-(2-methoxypyridine-3-carbonyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26146857
N-ethyl-1,5-bis[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26137652
(3-hydroxypiperidin-1-yl)-[1-[(3-methoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 45164379
ethyl 1-[(4-methoxyphenyl)methyl]-5-[(3R)-oxolane-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26142747
ethyl 1-[(3-cyanophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 82585845
ethyl 1-benzyl-5-(2-thiophen-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26139179
[5-cycloheptyl-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 45161972
[5-cyclohexyl-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 45160609
N-ethyl-1-[(3-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26138879
N-ethyl-5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26145613

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26134900) is ethyl 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(C(=O)c1c(C)noc1C)CC2.
What is the InChIKey of ethyl 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is HXYZITJVTIAABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-5-31-23(29)21-18-13-26(22(28)20-14(2)25-32-15(20)3)10-9-19(18)27(24-21)12-16-7-6-8-17(11-16)30-4/h6-8,11H,5,9-10,12-13H2,1-4H3.
What are the key properties of ethyl 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 438.48 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26134900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).