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

C16H23N3OS — CID 97381633

IUPAC3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCOCc1nn(C(C)C)c2c1CCN(Cc1cccs1)C2
InChIInChI=1S/C16H23N3OS/c1-12(2)19-16-10-18(9-13-5-4-8-21-13)7-6-14(16)15(17-19)11-20-3/h4-5,8,12H,6-7,9-11H2,1-3H3
InChIKeyKQZIMOGHGHDHEP-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.23
Rot. Bonds5

About 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 97381633) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID97381633
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCOCc1nn(C(C)C)c2c1CCN(Cc1cccs1)C2
InChIInChI=1S/C16H23N3OS/c1-12(2)19-16-10-18(9-13-5-4-8-21-13)7-6-14(16)15(17-19)11-20-3/h4-5,8,12H,6-7,9-11H2,1-3H3
InChIKeyKQZIMOGHGHDHEP-UHFFFAOYSA-N
XLogP3.23
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 97381633) is 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is COCc1nn(C(C)C)c2c1CCN(Cc1cccs1)C2.
What is the InChIKey of 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is KQZIMOGHGHDHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-12(2)19-16-10-18(9-13-5-4-8-21-13)7-6-14(16)15(17-19)11-20-3/h4-5,8,12H,6-7,9-11H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 305.45 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 97381633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).