(7R)-1-ethyl-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

C16H23N3OS — CID 97382785

IUPAC(7R)-1-ethyl-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCCn1ncc2c1[C@H](COC)CN(Cc1ccc(C)s1)C2
InChIInChI=1S/C16H23N3OS/c1-4-19-16-13(7-17-19)8-18(9-14(16)11-20-3)10-15-6-5-12(2)21-15/h5-7,14H,4,8-11H2,1-3H3/t14-/m0/s1
InChIKeyAACOZNLGTKTMSF-AWEZNQCLSA-N
MW305.45 g/mol
LogP3.02
Rot. Bonds5

About (7R)-1-ethyl-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

(7R)-1-ethyl-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (PubChem CID 97382785) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is (7R)-1-ethyl-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name(7R)-1-ethyl-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
PubChem CID97382785
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name(7R)-1-ethyl-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCCn1ncc2c1[C@H](COC)CN(Cc1ccc(C)s1)C2
InChIInChI=1S/C16H23N3OS/c1-4-19-16-13(7-17-19)8-18(9-14(16)11-20-3)10-15-6-5-12(2)21-15/h5-7,14H,4,8-11H2,1-3H3/t14-/m0/s1
InChIKeyAACOZNLGTKTMSF-AWEZNQCLSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-1-ethyl-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The IUPAC name of (7R)-1-ethyl-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (CID 97382785) is (7R)-1-ethyl-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for (7R)-1-ethyl-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for (7R)-1-ethyl-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is CCn1ncc2c1[C@H](COC)CN(Cc1ccc(C)s1)C2.
What is the InChIKey of (7R)-1-ethyl-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The InChIKey is AACOZNLGTKTMSF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-4-19-16-13(7-17-19)8-18(9-14(16)11-20-3)10-15-6-5-12(2)21-15/h5-7,14H,4,8-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (7R)-1-ethyl-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
(7R)-1-ethyl-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine has a molecular weight of 305.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1-ethyl-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 97382785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).