(4,5-dimethylthiophen-2-yl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone

C17H23N3O2S — CID 131657775

IUPAC(4,5-dimethylthiophen-2-yl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCCn1cc2c(n1)C(COC)CN(C(=O)c1cc(C)c(C)s1)C2
InChIInChI=1S/C17H23N3O2S/c1-5-20-9-13-7-19(8-14(10-22-4)16(13)18-20)17(21)15-6-11(2)12(3)23-15/h6,9,14H,5,7-8,10H2,1-4H3
InChIKeyJAFQUZVVUGQWGH-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.97
Rot. Bonds4

About (4,5-dimethylthiophen-2-yl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone

(4,5-dimethylthiophen-2-yl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 131657775) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID131657775
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name(4,5-dimethylthiophen-2-yl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCCn1cc2c(n1)C(COC)CN(C(=O)c1cc(C)c(C)s1)C2
InChIInChI=1S/C17H23N3O2S/c1-5-20-9-13-7-19(8-14(10-22-4)16(13)18-20)17(21)15-6-11(2)12(3)23-15/h6,9,14H,5,7-8,10H2,1-4H3
InChIKeyJAFQUZVVUGQWGH-UHFFFAOYSA-N
XLogP2.97
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4,5-dimethylthiophen-2-yl)-[(7R)-2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 97468201
(3,3-difluorocyclobutyl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 131682023
[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 134070162
1-[(7R)-2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one
CID 97468203
[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 134073737
(2-ethyl-5-methylpyrazol-3-yl)-[(7R)-7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 97368174
5-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole
CID 134072132
2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 155875901
2-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155828623
1-[(7S)-7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone
CID 97468220
(7S)-2-ethyl-7-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382547
2-ethyl-7-(methoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131663852

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (CID 131657775) is (4,5-dimethylthiophen-2-yl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is CCn1cc2c(n1)C(COC)CN(C(=O)c1cc(C)c(C)s1)C2.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is JAFQUZVVUGQWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-5-20-9-13-7-19(8-14(10-22-4)16(13)18-20)17(21)15-6-11(2)12(3)23-15/h6,9,14H,5,7-8,10H2,1-4H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
(4,5-dimethylthiophen-2-yl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 333.46 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 131657775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).