ethyl 1-(3-phenylpropyl)-5-(1,2,5-thiadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C21H23N5O3S — CID 26233523

IUPACethyl 1-(3-phenylpropyl)-5-(1,2,5-thiadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1cnsn1)CC2
InChIInChI=1S/C21H23N5O3S/c1-2-29-21(28)19-16-14-25(20(27)17-13-22-30-24-17)12-10-18(16)26(23-19)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,13H,2,6,9-12,14H2,1H3
InChIKeyCFRMIXXDNPYQHO-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.74
Rot. Bonds7

About ethyl 1-(3-phenylpropyl)-5-(1,2,5-thiadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-(3-phenylpropyl)-5-(1,2,5-thiadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26233523) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is ethyl 1-(3-phenylpropyl)-5-(1,2,5-thiadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-phenylpropyl)-5-(1,2,5-thiadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26233523
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Nameethyl 1-(3-phenylpropyl)-5-(1,2,5-thiadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1cnsn1)CC2
InChIInChI=1S/C21H23N5O3S/c1-2-29-21(28)19-16-14-25(20(27)17-13-22-30-24-17)12-10-18(16)26(23-19)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,13H,2,6,9-12,14H2,1H3
InChIKeyCFRMIXXDNPYQHO-UHFFFAOYSA-N
XLogP2.74
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-(5-methyl-1H-imidazole-2-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26142683
ethyl 1-(3-phenylpropyl)-5-(3-pyrazin-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26134929
ethyl 5-(2-methoxyacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26136993
ethyl 1-(3-phenylpropyl)-5-[5-(trifluoromethyl)pyrazolidine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 74492952
ethyl 5-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26133523
ethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 56703895
[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 84594145
5-(2-methyl-1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56702476
ethyl 5-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26229785
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 5-(naphthalene-1-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26133300
(3,5-dimethyl-1H-pyrrol-2-yl)-[3-(4-hydroxypiperidine-1-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 26221640

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-phenylpropyl)-5-(1,2,5-thiadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(3-phenylpropyl)-5-(1,2,5-thiadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26233523) is ethyl 1-(3-phenylpropyl)-5-(1,2,5-thiadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-phenylpropyl)-5-(1,2,5-thiadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-phenylpropyl)-5-(1,2,5-thiadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1cnsn1)CC2.
What is the InChIKey of ethyl 1-(3-phenylpropyl)-5-(1,2,5-thiadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is CFRMIXXDNPYQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-2-29-21(28)19-16-14-25(20(27)17-13-22-30-24-17)12-10-18(16)26(23-19)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,13H,2,6,9-12,14H2,1H3.
What are the key properties of ethyl 1-(3-phenylpropyl)-5-(1,2,5-thiadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-(3-phenylpropyl)-5-(1,2,5-thiadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 425.51 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-phenylpropyl)-5-(1,2,5-thiadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26233523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).