4-[[(7R)-7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole

C17H26N4O2 — CID 97468209

IUPAC4-[[(7R)-7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCCOC[C@@H]1CN(Cc2c(C)noc2C)Cc2cn(CC)nc21
InChIInChI=1S/C17H26N4O2/c1-5-21-9-14-7-20(10-16-12(3)19-23-13(16)4)8-15(11-22-6-2)17(14)18-21/h9,15H,5-8,10-11H2,1-4H3/t15-/m0/s1
InChIKeyKMCZJGDSROVHPF-HNNXBMFYSA-N
MW318.42 g/mol
LogP2.64
Rot. Bonds6

About 4-[[(7R)-7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[(7R)-7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 97468209) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[[(7R)-7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[(7R)-7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID97468209
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-[[(7R)-7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCCOC[C@@H]1CN(Cc2c(C)noc2C)Cc2cn(CC)nc21
InChIInChI=1S/C17H26N4O2/c1-5-21-9-14-7-20(10-16-12(3)19-23-13(16)4)8-15(11-22-6-2)17(14)18-21/h9,15H,5-8,10-11H2,1-4H3/t15-/m0/s1
InChIKeyKMCZJGDSROVHPF-HNNXBMFYSA-N
XLogP2.64
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[(7R)-7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131655593
7-(ethoxymethyl)-2-ethyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131640660
4-[[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97368582
5-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole
CID 134072132
2-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131650589
(7R)-2-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382618
2-ethyl-7-(methoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131663852
7-(ethoxymethyl)-2-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131654634
4-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)
CID 155832795
4-[[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97368230
(7S)-5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97390592
7-(ethoxymethyl)-2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 121229773

Frequently Asked Questions

What is the IUPAC name of 4-[[(7R)-7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[(7R)-7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 97468209) is 4-[[(7R)-7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[(7R)-7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[(7R)-7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole is CCOC[C@@H]1CN(Cc2c(C)noc2C)Cc2cn(CC)nc21.
What is the InChIKey of 4-[[(7R)-7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is KMCZJGDSROVHPF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-5-21-9-14-7-20(10-16-12(3)19-23-13(16)4)8-15(11-22-6-2)17(14)18-21/h9,15H,5-8,10-11H2,1-4H3/t15-/m0/s1.
What are the key properties of 4-[[(7R)-7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[(7R)-7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 318.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(7R)-7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 97468209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).