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

C14H19N3OS — CID 97382989

IUPAC(4S)-4-(methoxymethyl)-2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCOC[C@@H]1CN(Cc2cccs2)Cc2nn(C)cc21
InChIInChI=1S/C14H19N3OS/c1-16-8-13-11(10-18-2)6-17(9-14(13)15-16)7-12-4-3-5-19-12/h3-5,8,11H,6-7,9-10H2,1-2H3/t11-/m0/s1
InChIKeyYLAGXALUKVBDKA-NSHDSACASA-N
MW277.39 g/mol
LogP2.23
Rot. Bonds4

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

(4S)-4-(methoxymethyl)-2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (PubChem CID 97382989) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is (4S)-4-(methoxymethyl)-2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name(4S)-4-(methoxymethyl)-2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
PubChem CID97382989
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name(4S)-4-(methoxymethyl)-2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCOC[C@@H]1CN(Cc2cccs2)Cc2nn(C)cc21
InChIInChI=1S/C14H19N3OS/c1-16-8-13-11(10-18-2)6-17(9-14(13)15-16)7-12-4-3-5-19-12/h3-5,8,11H,6-7,9-10H2,1-2H3/t11-/m0/s1
InChIKeyYLAGXALUKVBDKA-NSHDSACASA-N
XLogP2.23
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 97383081
2-(cyclopropylmethyl)-4-(methoxymethyl)-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 155855650
(7S)-7-(methoxymethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 97382646
6-(furan-2-ylmethyl)-4-(methoxymethyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 155829954
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
2-[[2-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole
CID 131653814
4-(ethoxymethyl)-2-methyl-6-[(5-methylfuran-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 131652990
1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 131644800
4-(ethoxymethyl)-2-methyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 155834986
(7S)-7-(methoxymethyl)-2-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382463
N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131677678

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(methoxymethyl)-2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The IUPAC name of (4S)-4-(methoxymethyl)-2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (CID 97382989) is (4S)-4-(methoxymethyl)-2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for (4S)-4-(methoxymethyl)-2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for (4S)-4-(methoxymethyl)-2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is COC[C@@H]1CN(Cc2cccs2)Cc2nn(C)cc21.
What is the InChIKey of (4S)-4-(methoxymethyl)-2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The InChIKey is YLAGXALUKVBDKA-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3OS/c1-16-8-13-11(10-18-2)6-17(9-14(13)15-16)7-12-4-3-5-19-12/h3-5,8,11H,6-7,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (4S)-4-(methoxymethyl)-2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
(4S)-4-(methoxymethyl)-2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine has a molecular weight of 277.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methoxymethyl)-2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 97382989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).