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1-(cyclopropylmethyl)-7-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

C17H23N3OS — CID 118746350

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(cyclopropylmethyl)-7-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCOCC1c2c(cnn2CC2CC2)CCN1Cc1cccs1
InChIInChI=1S/C17H23N3OS/c1-21-12-16-17-14(9-18-20(17)10-13-4-5-13)6-7-19(16)11-15-3-2-8-22-15/h2-3,8-9,13,16H,4-7,10-12H2,1H3
InChIKeyQPLYZOZSBPMBTF-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.10
Rot. Bonds6

About 1-(cyclopropylmethyl)-7-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

1-(cyclopropylmethyl)-7-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 118746350) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID118746350
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name1-(cyclopropylmethyl)-7-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCOCC1c2c(cnn2CC2CC2)CCN1Cc1cccs1
InChIInChI=1S/C17H23N3OS/c1-21-12-16-17-14(9-18-20(17)10-13-4-5-13)6-7-19(16)11-15-3-2-8-22-15/h2-3,8-9,13,16H,4-7,10-12H2,1H3
InChIKeyQPLYZOZSBPMBTF-UHFFFAOYSA-N
XLogP3.10
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 1-(cyclopropylmethyl)-7-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 118746350) is 1-(cyclopropylmethyl)-7-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 1-(cyclopropylmethyl)-7-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is COCC1c2c(cnn2CC2CC2)CCN1Cc1cccs1.
What is the InChIKey of 1-(cyclopropylmethyl)-7-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is QPLYZOZSBPMBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-21-12-16-17-14(9-18-20(17)10-13-4-5-13)6-7-19(16)11-15-3-2-8-22-15/h2-3,8-9,13,16H,4-7,10-12H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-7-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
1-(cyclopropylmethyl)-7-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 317.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 118746350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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