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

C15H21N3OS — CID 97382463

IUPAC(7S)-7-(methoxymethyl)-2-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCOC[C@H]1CN(Cc2ccc(C)s2)Cc2cn(C)nc21
InChIInChI=1S/C15H21N3OS/c1-11-4-5-14(20-11)9-18-7-12-6-17(2)16-15(12)13(8-18)10-19-3/h4-6,13H,7-10H2,1-3H3/t13-/m1/s1
InChIKeyUYGTYEYVDIFZKC-CYBMUJFWSA-N
MW291.42 g/mol
LogP2.54
Rot. Bonds4

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

(7S)-7-(methoxymethyl)-2-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 97382463) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is (7S)-7-(methoxymethyl)-2-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name(7S)-7-(methoxymethyl)-2-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID97382463
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name(7S)-7-(methoxymethyl)-2-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCOC[C@H]1CN(Cc2ccc(C)s2)Cc2cn(C)nc21
InChIInChI=1S/C15H21N3OS/c1-11-4-5-14(20-11)9-18-7-12-6-17(2)16-15(12)13(8-18)10-19-3/h4-6,13H,7-10H2,1-3H3/t13-/m1/s1
InChIKeyUYGTYEYVDIFZKC-CYBMUJFWSA-N
XLogP2.54
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.54
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
7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131655593
(7S)-7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382559
(7R)-1-ethyl-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 97382785
(7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383247
7-(ethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 133141649
(7R)-7-(cyclopropylmethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97468137
(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97368523
1-(cyclopropylmethyl)-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 131653605
7-(ethoxymethyl)-2-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131654634
(7R)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382482
(7S)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382483

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(methoxymethyl)-2-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of (7S)-7-(methoxymethyl)-2-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 97382463) is (7S)-7-(methoxymethyl)-2-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for (7S)-7-(methoxymethyl)-2-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for (7S)-7-(methoxymethyl)-2-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is COC[C@H]1CN(Cc2ccc(C)s2)Cc2cn(C)nc21.
What is the InChIKey of (7S)-7-(methoxymethyl)-2-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is UYGTYEYVDIFZKC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-11-4-5-14(20-11)9-18-7-12-6-17(2)16-15(12)13(8-18)10-19-3/h4-6,13H,7-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (7S)-7-(methoxymethyl)-2-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
(7S)-7-(methoxymethyl)-2-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 291.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(methoxymethyl)-2-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 97382463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).