(7S)-7-(methoxymethyl)-1-methyl-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

C17H23N3O — CID 97467842

IUPAC(7S)-7-(methoxymethyl)-1-methyl-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCOC[C@@H]1c2c(cnn2C)CCN1Cc1ccc(C)cc1
InChIInChI=1S/C17H23N3O/c1-13-4-6-14(7-5-13)11-20-9-8-15-10-18-19(2)17(15)16(20)12-21-3/h4-7,10,16H,8-9,11-12H2,1-3H3/t16-/m1/s1
InChIKeyCURLUINJKUTKLO-MRXNPFEDSA-N
MW285.39 g/mol
LogP2.47
Rot. Bonds4

About (7S)-7-(methoxymethyl)-1-methyl-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

(7S)-7-(methoxymethyl)-1-methyl-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 97467842) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (7S)-7-(methoxymethyl)-1-methyl-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name(7S)-7-(methoxymethyl)-1-methyl-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID97467842
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(7S)-7-(methoxymethyl)-1-methyl-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCOC[C@@H]1c2c(cnn2C)CCN1Cc1ccc(C)cc1
InChIInChI=1S/C17H23N3O/c1-13-4-6-14(7-5-13)11-20-9-8-15-10-18-19(2)17(15)16(20)12-21-3/h4-7,10,16H,8-9,11-12H2,1-3H3/t16-/m1/s1
InChIKeyCURLUINJKUTKLO-MRXNPFEDSA-N
XLogP2.47
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
(7S)-7-(cyclopropylmethoxymethyl)-6-[(2-methoxyphenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97367996
1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-methylphenyl)ethanone
CID 97467937
5-[(4-ethylphenyl)methyl]-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 118742960
(7S)-7-(cyclopropylmethoxymethyl)-6-[(4,5-dimethylfuran-2-yl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97467940
7-(methoxymethyl)-6-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 131658350
5-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 131653755
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)-6-(furan-2-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97368018
1-di(propan-2-yloxy)phosphoryl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 177440040
3-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-5-methyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)
CID 118745961
N-[[(1R)-6,7-dimethoxy-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylbenzamide
CID 93148310

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(methoxymethyl)-1-methyl-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of (7S)-7-(methoxymethyl)-1-methyl-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 97467842) is (7S)-7-(methoxymethyl)-1-methyl-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for (7S)-7-(methoxymethyl)-1-methyl-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for (7S)-7-(methoxymethyl)-1-methyl-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is COC[C@@H]1c2c(cnn2C)CCN1Cc1ccc(C)cc1.
What is the InChIKey of (7S)-7-(methoxymethyl)-1-methyl-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is CURLUINJKUTKLO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-4-6-14(7-5-13)11-20-9-8-15-10-18-19(2)17(15)16(20)12-21-3/h4-7,10,16H,8-9,11-12H2,1-3H3/t16-/m1/s1.
What are the key properties of (7S)-7-(methoxymethyl)-1-methyl-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
(7S)-7-(methoxymethyl)-1-methyl-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 285.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(methoxymethyl)-1-methyl-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 97467842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).