ethyl 5-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C23H29N5O2 — CID 26229785

IUPACethyl 5-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(Cc1nc[nH]c1C)CC2
InChIInChI=1S/C23H29N5O2/c1-3-30-23(29)22-19-14-27(15-20-17(2)24-16-25-20)13-11-21(19)28(26-22)12-7-10-18-8-5-4-6-9-18/h4-6,8-9,16H,3,7,10-15H2,1-2H3,(H,24,25)
InChIKeyOQFFXIJMXCHWGQ-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.28
Rot. Bonds8

About ethyl 5-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 5-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26229785) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is ethyl 5-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26229785
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Nameethyl 5-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(Cc1nc[nH]c1C)CC2
InChIInChI=1S/C23H29N5O2/c1-3-30-23(29)22-19-14-27(15-20-17(2)24-16-25-20)13-11-21(19)28(26-22)12-7-10-18-8-5-4-6-9-18/h4-6,8-9,16H,3,7,10-15H2,1-2H3,(H,24,25)
InChIKeyOQFFXIJMXCHWGQ-UHFFFAOYSA-N
XLogP3.28
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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 5-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-pyridin-3-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26142237
ethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 56703895
ethyl 1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26137849
ethyl 1-(3-phenylpropyl)-5-(1,2,5-thiadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26233523
ethyl 1-(3-phenylpropyl)-5-(3-pyrazin-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26134929
ethyl 5-[(4-acetamidophenyl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26143774
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)-5-[5-(trifluoromethyl)pyrazolidine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 74492952
ethyl 5-(2-methoxyacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26136993
ethyl 1-(3-methylbutyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26223058
(4-hydroxypiperidin-1-yl)-[1-(3-phenylpropyl)-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26133105

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of 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) is ethyl 5-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(Cc1nc[nH]c1C)CC2.
What is the InChIKey of ethyl 5-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is OQFFXIJMXCHWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-3-30-23(29)22-19-14-27(15-20-17(2)24-16-25-20)13-11-21(19)28(26-22)12-7-10-18-8-5-4-6-9-18/h4-6,8-9,16H,3,7,10-15H2,1-2H3,(H,24,25).
What are the key properties of ethyl 5-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 5-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 407.52 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26229785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).