[2-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone

C18H23N3O2S — CID 131654858

IUPAC[2-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone
SMILESCCOCC1CN(C(=O)c2ccsc2)Cc2cn(CC3CC3)nc21
InChIInChI=1S/C18H23N3O2S/c1-2-23-11-16-9-20(18(22)14-5-6-24-12-14)8-15-10-21(19-17(15)16)7-13-3-4-13/h5-6,10,12-13,16H,2-4,7-9,11H2,1H3
InChIKeyDVJBDKXUESHKCG-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.13
Rot. Bonds6

About [2-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone

[2-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone (PubChem CID 131654858) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is [2-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[2-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone
PubChem CID131654858
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name[2-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone
SMILESCCOCC1CN(C(=O)c2ccsc2)Cc2cn(CC3CC3)nc21
InChIInChI=1S/C18H23N3O2S/c1-2-23-11-16-9-20(18(22)14-5-6-24-12-14)8-15-10-21(19-17(15)16)7-13-3-4-13/h5-6,10,12-13,16H,2-4,7-9,11H2,1H3
InChIKeyDVJBDKXUESHKCG-UHFFFAOYSA-N
XLogP3.13
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 97468491
[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
(7R)-2-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382618
7-(ethoxymethyl)-2-ethyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131640660
[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 131683334
[(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-3-ylmethanone
CID 97468059
1-[(7S)-7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone
CID 97468220
1-[(7R)-7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone
CID 97468159
2-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131650589
(7R)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382482
(7S)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382483
1-[(7R)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone
CID 97423285

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone?
The IUPAC name of [2-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone (CID 131654858) is [2-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [2-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [2-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone is CCOCC1CN(C(=O)c2ccsc2)Cc2cn(CC3CC3)nc21.
What is the InChIKey of [2-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone?
The InChIKey is DVJBDKXUESHKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-2-23-11-16-9-20(18(22)14-5-6-24-12-14)8-15-10-21(19-17(15)16)7-13-3-4-13/h5-6,10,12-13,16H,2-4,7-9,11H2,1H3.
What are the key properties of [2-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone?
[2-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone has a molecular weight of 345.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 131654858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).