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

C16H23N3O2 — CID 97381634

IUPAC6-(furan-3-ylmethyl)-3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCOCc1nn(C(C)C)c2c1CCN(Cc1ccoc1)C2
InChIInChI=1S/C16H23N3O2/c1-12(2)19-16-9-18(8-13-5-7-21-10-13)6-4-14(16)15(17-19)11-20-3/h5,7,10,12H,4,6,8-9,11H2,1-3H3
InChIKeyHVDGWBGXUKJLPC-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.76
Rot. Bonds5

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

6-(furan-3-ylmethyl)-3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 97381634) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-(furan-3-ylmethyl)-3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name6-(furan-3-ylmethyl)-3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID97381634
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-(furan-3-ylmethyl)-3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCOCc1nn(C(C)C)c2c1CCN(Cc1ccoc1)C2
InChIInChI=1S/C16H23N3O2/c1-12(2)19-16-9-18(8-13-5-7-21-10-13)6-4-14(16)15(17-19)11-20-3/h5,7,10,12H,4,6,8-9,11H2,1-3H3
InChIKeyHVDGWBGXUKJLPC-UHFFFAOYSA-N
XLogP2.76
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-ylmethyl)-3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 6-(furan-3-ylmethyl)-3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 97381634) is 6-(furan-3-ylmethyl)-3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 6-(furan-3-ylmethyl)-3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 6-(furan-3-ylmethyl)-3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is COCc1nn(C(C)C)c2c1CCN(Cc1ccoc1)C2.
What is the InChIKey of 6-(furan-3-ylmethyl)-3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is HVDGWBGXUKJLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(2)19-16-9-18(8-13-5-7-21-10-13)6-4-14(16)15(17-19)11-20-3/h5,7,10,12H,4,6,8-9,11H2,1-3H3.
What are the key properties of 6-(furan-3-ylmethyl)-3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
6-(furan-3-ylmethyl)-3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 289.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-ylmethyl)-3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 97381634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).