(7S)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C15H21N3OS — CID 97382483

IUPAC(7S)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCOC[C@H]1CN(Cc2ccsc2)Cc2cn(C)nc21
InChIInChI=1S/C15H21N3OS/c1-3-19-10-14-9-18(6-12-4-5-20-11-12)8-13-7-17(2)16-15(13)14/h4-5,7,11,14H,3,6,8-10H2,1-2H3/t14-/m1/s1
InChIKeyCXTLGJVQRPCCGT-CQSZACIVSA-N
MW291.42 g/mol
LogP2.62
Rot. Bonds5

About (7S)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

(7S)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 97382483) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is (7S)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name(7S)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID97382483
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name(7S)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCOC[C@H]1CN(Cc2ccsc2)Cc2cn(C)nc21
InChIInChI=1S/C15H21N3OS/c1-3-19-10-14-9-18(6-12-4-5-20-11-12)8-13-7-17(2)16-15(13)14/h4-5,7,11,14H,3,6,8-10H2,1-2H3/t14-/m1/s1
InChIKeyCXTLGJVQRPCCGT-CQSZACIVSA-N
XLogP2.62
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382482
7-(ethoxymethyl)-2-ethyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131640660
7-(ethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 133141649
7-(ethoxymethyl)-2-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131641198
(7S)-5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97390592
(7S)-7-(ethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97368289
(7R)-5-(cyclopropylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382500
7-(ethoxymethyl)-2-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131654634
3-[[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole
CID 118739406
(7S)-7-(methoxymethyl)-2-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382471
(7S)-7-(cyclopropylmethoxymethyl)-5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97468146
7-(ethoxymethyl)-2-ethyl-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131655634

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of (7S)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 97382483) is (7S)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for (7S)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for (7S)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCOC[C@H]1CN(Cc2ccsc2)Cc2cn(C)nc21.
What is the InChIKey of (7S)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is CXTLGJVQRPCCGT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-19-10-14-9-18(6-12-4-5-20-11-12)8-13-7-17(2)16-15(13)14/h4-5,7,11,14H,3,6,8-10H2,1-2H3/t14-/m1/s1.
What are the key properties of (7S)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
(7S)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 291.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 97382483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).