(7S)-7-(ethoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

C16H27N3O2 — CID 97382737

IUPAC(7S)-7-(ethoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCCOC[C@H]1CN(CC2CCOCC2)Cc2cnn(C)c21
InChIInChI=1S/C16H27N3O2/c1-3-20-12-15-11-19(9-13-4-6-21-7-5-13)10-14-8-17-18(2)16(14)15/h8,13,15H,3-7,9-12H2,1-2H3/t15-/m1/s1
InChIKeyWLQDSCJRDKSCRH-OAHLLOKOSA-N
MW293.41 g/mol
LogP1.78
Rot. Bonds5

About (7S)-7-(ethoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

(7S)-7-(ethoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (PubChem CID 97382737) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (7S)-7-(ethoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name(7S)-7-(ethoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
PubChem CID97382737
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(7S)-7-(ethoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCCOC[C@H]1CN(CC2CCOCC2)Cc2cnn(C)c21
InChIInChI=1S/C16H27N3O2/c1-3-20-12-15-11-19(9-13-4-6-21-7-5-13)10-14-8-17-18(2)16(14)15/h8,13,15H,3-7,9-12H2,1-2H3/t15-/m1/s1
InChIKeyWLQDSCJRDKSCRH-OAHLLOKOSA-N
XLogP1.78
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-(ethoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The IUPAC name of (7S)-7-(ethoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (CID 97382737) is (7S)-7-(ethoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for (7S)-7-(ethoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for (7S)-7-(ethoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is CCOC[C@H]1CN(CC2CCOCC2)Cc2cnn(C)c21.
What is the InChIKey of (7S)-7-(ethoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The InChIKey is WLQDSCJRDKSCRH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-20-12-15-11-19(9-13-4-6-21-7-5-13)10-14-8-17-18(2)16(14)15/h8,13,15H,3-7,9-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (7S)-7-(ethoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
(7S)-7-(ethoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine has a molecular weight of 293.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(ethoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 97382737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).