1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-3-ylethanone

C18H23N3O2S — CID 118739634

IUPAC1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-3-ylethanone
SMILESCn1ncc2c1C(COCC1CC1)CN(C(=O)Cc1ccsc1)C2
InChIInChI=1S/C18H23N3O2S/c1-20-18-15(7-19-20)8-21(17(22)6-14-4-5-24-12-14)9-16(18)11-23-10-13-2-3-13/h4-5,7,12-13,16H,2-3,6,8-11H2,1H3
InChIKeyXATAFPPOWPQFKA-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.58
Rot. Bonds6

About 1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-3-ylethanone

1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-3-ylethanone (PubChem CID 118739634) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-3-ylethanone
PubChem CID118739634
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-3-ylethanone
SMILESCn1ncc2c1C(COCC1CC1)CN(C(=O)Cc1ccsc1)C2
InChIInChI=1S/C18H23N3O2S/c1-20-18-15(7-19-20)8-21(17(22)6-14-4-5-24-12-14)9-16(18)11-23-10-13-2-3-13/h4-5,7,12-13,16H,2-3,6,8-11H2,1H3
InChIKeyXATAFPPOWPQFKA-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropylmethoxymethyl)-1-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 118739519
[7-(cyclopropylmethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 118738859
7-(ethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118739277
7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118739284
7-(methoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118739290
[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-2-ylmethanone
CID 118739455
[4-(ethoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-thiophen-3-ylmethanone
CID 118739466
7-(methoxymethyl)-1-methyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 118739548
1-ethyl-7-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118739696
[7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 118739764
1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-thiophen-3-ylethanone
CID 118739805
[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 118740776

Frequently Asked Questions

What is the IUPAC name of 1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-3-ylethanone (CID 118739634) is 1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-3-ylethanone is Cn1ncc2c1C(COCC1CC1)CN(C(=O)Cc1ccsc1)C2.
What is the InChIKey of 1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-3-ylethanone?
The InChIKey is XATAFPPOWPQFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-20-18-15(7-19-20)8-21(17(22)6-14-4-5-24-12-14)9-16(18)11-23-10-13-2-3-13/h4-5,7,12-13,16H,2-3,6,8-11H2,1H3.
What are the key properties of 1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-3-ylethanone?
1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-3-ylethanone has a molecular weight of 345.47 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 118739634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).