5-[[(7S)-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole

C14H20N4OS — CID 97467866

IUPAC5-[[(7S)-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole
SMILESCOC[C@@H]1c2c(cnn2C)CCN1Cc1scnc1C
InChIInChI=1S/C14H20N4OS/c1-10-13(20-9-15-10)7-18-5-4-11-6-16-17(2)14(11)12(18)8-19-3/h6,9,12H,4-5,7-8H2,1-3H3/t12-/m1/s1
InChIKeyJJJGCONPWWIKMY-GFCCVEGCSA-N
MW292.41 g/mol
LogP1.93
Rot. Bonds4

About 5-[[(7S)-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole

5-[[(7S)-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 97467866) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 5-[[(7S)-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[(7S)-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID97467866
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name5-[[(7S)-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole
SMILESCOC[C@@H]1c2c(cnn2C)CCN1Cc1scnc1C
InChIInChI=1S/C14H20N4OS/c1-10-13(20-9-15-10)7-18-5-4-11-6-16-17(2)14(11)12(18)8-19-3/h6,9,12H,4-5,7-8H2,1-3H3/t12-/m1/s1
InChIKeyJJJGCONPWWIKMY-GFCCVEGCSA-N
XLogP1.93
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[(7S)-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole with MolForge

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Related Compounds

5-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole
CID 134072108
(7S)-7-(methoxymethyl)-1-methyl-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97467842
5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155850122
5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 171696735
5-[[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole
CID 131658022
(7S)-7-(cyclopropylmethoxymethyl)-6-[(4,5-dimethylfuran-2-yl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97467940
(7S)-7-(cyclopropylmethoxymethyl)-6-[(2-methoxyphenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97367996
(4aR,7S,7aS)-7-methoxy-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 133141609
7-(methoxymethyl)-6-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 131658350
5-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole
CID 134072132
5-[[5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole
CID 131646474
(4aS,8aS)-4-(2-methoxyethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 98895400

Frequently Asked Questions

What is the IUPAC name of 5-[[(7S)-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[[(7S)-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole (CID 97467866) is 5-[[(7S)-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[(7S)-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[[(7S)-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole is COC[C@@H]1c2c(cnn2C)CCN1Cc1scnc1C.
What is the InChIKey of 5-[[(7S)-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is JJJGCONPWWIKMY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10-13(20-9-15-10)7-18-5-4-11-6-16-17(2)14(11)12(18)8-19-3/h6,9,12H,4-5,7-8H2,1-3H3/t12-/m1/s1.
What are the key properties of 5-[[(7S)-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole?
5-[[(7S)-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 292.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(7S)-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 97467866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).