ethyl 5-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C24H25N5O4S — CID 26135313

IUPACethyl 5-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)Cc1cn3ccsc3n1)CC2
InChIInChI=1S/C24H25N5O4S/c1-3-33-23(31)22-19-15-27(21(30)12-17-14-28-10-11-34-24(28)25-17)9-8-20(19)29(26-22)13-16-4-6-18(32-2)7-5-16/h4-7,10-11,14H,3,8-9,12-13,15H2,1-2H3
InChIKeyWDXRRKWRFGZQOS-UHFFFAOYSA-N
MW479.56 g/mol
LogP2.95
Rot. Bonds7

About ethyl 5-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 5-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26135313) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is ethyl 5-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26135313
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC Nameethyl 5-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)Cc1cn3ccsc3n1)CC2
InChIInChI=1S/C24H25N5O4S/c1-3-33-23(31)22-19-15-27(21(30)12-17-14-28-10-11-34-24(28)25-17)9-8-20(19)29(26-22)13-16-4-6-18(32-2)7-5-16/h4-7,10-11,14H,3,8-9,12-13,15H2,1-2H3
InChIKeyWDXRRKWRFGZQOS-UHFFFAOYSA-N
XLogP2.95
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 5-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

1-[1-benzyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 26221338
ethyl 1,5-bis[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26223172
ethyl 1-benzyl-5-(2-thiophen-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26139179
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-[2-(4-methoxyphenyl)ethyl]-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26230545
ethyl 1-(pyridin-2-ylmethyl)-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26146169
ethyl 5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26233457
N-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 31448979
ethyl 5-(2-methoxypyridine-3-carbonyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26146857
ethyl 1-benzyl-5-[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 45160016
5-[2-(dimethylamino)propanoyl]-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56707831
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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26135313) is ethyl 5-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)Cc1cn3ccsc3n1)CC2.
What is the InChIKey of ethyl 5-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is WDXRRKWRFGZQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-3-33-23(31)22-19-15-27(21(30)12-17-14-28-10-11-34-24(28)25-17)9-8-20(19)29(26-22)13-16-4-6-18(32-2)7-5-16/h4-7,10-11,14H,3,8-9,12-13,15H2,1-2H3.
What are the key properties of ethyl 5-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 5-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 479.56 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26135313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).