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

C20H20N4O3S — CID 26142273

IUPACethyl 1-(pyridin-2-ylmethyl)-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1ccsc1)CC2
InChIInChI=1S/C20H20N4O3S/c1-2-27-20(26)18-16-12-23(19(25)14-7-10-28-13-14)9-6-17(16)24(22-18)11-15-5-3-4-8-21-15/h3-5,7-8,10,13H,2,6,9,11-12H2,1H3
InChIKeyNDTFNSOYSAQSME-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.76
Rot. Bonds5

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

ethyl 1-(pyridin-2-ylmethyl)-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26142273) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is ethyl 1-(pyridin-2-ylmethyl)-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(pyridin-2-ylmethyl)-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26142273
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Nameethyl 1-(pyridin-2-ylmethyl)-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1ccsc1)CC2
InChIInChI=1S/C20H20N4O3S/c1-2-27-20(26)18-16-12-23(19(25)14-7-10-28-13-14)9-6-17(16)24(22-18)11-15-5-3-4-8-21-15/h3-5,7-8,10,13H,2,6,9,11-12H2,1H3
InChIKeyNDTFNSOYSAQSME-UHFFFAOYSA-N
XLogP2.76
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-(pyridin-2-ylmethyl)-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

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-(3-ethyl-1-methylpyrazole-5-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26220418
ethyl 5-(thiophene-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26136937
ethyl 5-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26231061
ethyl 5-(2-methoxypyridine-3-carbonyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26146857
[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 90647769
morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26147078
N-[(4-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26215805
[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-naphthalen-2-ylmethanone
CID 26139731
ethyl 1-benzyl-5-(2-thiophen-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26139179
ethyl 1-ethyl-5-[2-(1H-imidazol-2-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26224805
1-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]but-3-en-1-one
CID 26134262

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(pyridin-2-ylmethyl)-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(pyridin-2-ylmethyl)-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26142273) is ethyl 1-(pyridin-2-ylmethyl)-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(pyridin-2-ylmethyl)-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(pyridin-2-ylmethyl)-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1ccsc1)CC2.
What is the InChIKey of ethyl 1-(pyridin-2-ylmethyl)-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is NDTFNSOYSAQSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-2-27-20(26)18-16-12-23(19(25)14-7-10-28-13-14)9-6-17(16)24(22-18)11-15-5-3-4-8-21-15/h3-5,7-8,10,13H,2,6,9,11-12H2,1H3.
What are the key properties of ethyl 1-(pyridin-2-ylmethyl)-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-(pyridin-2-ylmethyl)-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 396.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(pyridin-2-ylmethyl)-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26142273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).