(7S)-5-benzylsulfonyl-7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C16H21N3O3S — CID 97390586

IUPAC(7S)-5-benzylsulfonyl-7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCOC[C@H]1CN(S(=O)(=O)Cc2ccccc2)Cc2cn(C)nc21
InChIInChI=1S/C16H21N3O3S/c1-18-8-14-9-19(10-15(11-22-2)16(14)17-18)23(20,21)12-13-6-4-3-5-7-13/h3-8,15H,9-12H2,1-2H3/t15-/m1/s1
InChIKeySORIKMFUVLDLRQ-OAHLLOKOSA-N
MW335.43 g/mol
LogP1.50
Rot. Bonds5

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

(7S)-5-benzylsulfonyl-7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 97390586) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is (7S)-5-benzylsulfonyl-7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name(7S)-5-benzylsulfonyl-7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID97390586
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name(7S)-5-benzylsulfonyl-7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCOC[C@H]1CN(S(=O)(=O)Cc2ccccc2)Cc2cn(C)nc21
InChIInChI=1S/C16H21N3O3S/c1-18-8-14-9-19(10-15(11-22-2)16(14)17-18)23(20,21)12-13-6-4-3-5-7-13/h3-8,15H,9-12H2,1-2H3/t15-/m1/s1
InChIKeySORIKMFUVLDLRQ-OAHLLOKOSA-N
XLogP1.50
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7S)-7-(methoxymethyl)-2-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382471
1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;2,2,2-trifluoroacetic acid
CID 118744328
(7S)-7-(methoxymethyl)-2-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382463
4-benzylsulfonyl-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 110870723
4-benzylsulfonyl-1,2,6-trimethylpiperazine
CID 110662416
7-(ethoxymethyl)-2-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131641198
(2-ethyl-5-methylpyrazol-3-yl)-[(7R)-7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 97368174
1-benzylsulfonyl-3,5-dimethylpiperidine
CID 3113494
(7S)-7-(cyclopropylmethoxymethyl)-5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97468146
4-benzylsulfonyl-1,2-dimethylpiperazine
CID 110707686
(7R)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382482
5-benzylsulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 50832612

Frequently Asked Questions

What is the IUPAC name of (7S)-5-benzylsulfonyl-7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of (7S)-5-benzylsulfonyl-7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 97390586) is (7S)-5-benzylsulfonyl-7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for (7S)-5-benzylsulfonyl-7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for (7S)-5-benzylsulfonyl-7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is COC[C@H]1CN(S(=O)(=O)Cc2ccccc2)Cc2cn(C)nc21.
What is the InChIKey of (7S)-5-benzylsulfonyl-7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is SORIKMFUVLDLRQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-18-8-14-9-19(10-15(11-22-2)16(14)17-18)23(20,21)12-13-6-4-3-5-7-13/h3-8,15H,9-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (7S)-5-benzylsulfonyl-7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
(7S)-5-benzylsulfonyl-7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 335.43 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-benzylsulfonyl-7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 97390586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).