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

C13H21N3O3 — CID 97382738

IUPAC1-[(7R)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methoxyethanone
SMILESCCOC[C@@H]1CN(C(=O)COC)Cc2cnn(C)c21
InChIInChI=1S/C13H21N3O3/c1-4-19-8-11-7-16(12(17)9-18-3)6-10-5-14-15(2)13(10)11/h5,11H,4,6-9H2,1-3H3/t11-/m0/s1
InChIKeyBFHVTEIRKBDADK-NSHDSACASA-N
MW267.33 g/mol
LogP0.53
Rot. Bonds5

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

1-[(7R)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methoxyethanone (PubChem CID 97382738) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[(7R)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(7R)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methoxyethanone
PubChem CID97382738
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-[(7R)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methoxyethanone
SMILESCCOC[C@@H]1CN(C(=O)COC)Cc2cnn(C)c21
InChIInChI=1S/C13H21N3O3/c1-4-19-8-11-7-16(12(17)9-18-3)6-10-5-14-15(2)13(10)11/h5,11H,4,6-9H2,1-3H3/t11-/m0/s1
InChIKeyBFHVTEIRKBDADK-NSHDSACASA-N
XLogP0.53
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone
CID 118739384
[(7S)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone
CID 97468368
1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3-methylbutan-1-one
CID 131648412
[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 118743369
[(7S)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 97382719
[(7S)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone
CID 97382727
1-[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one
CID 97468338
cyclopropyl-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone
CID 131656652
(7R)-7-(ethoxymethyl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 97382742
1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylsulfonylethanone
CID 97368207
[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-4-ylmethanone
CID 97382674
2-methoxy-1-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone
CID 131644403

Frequently Asked Questions

What is the IUPAC name of 1-[(7R)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methoxyethanone?
The IUPAC name of 1-[(7R)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methoxyethanone (CID 97382738) is 1-[(7R)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(7R)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(7R)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methoxyethanone is CCOC[C@@H]1CN(C(=O)COC)Cc2cnn(C)c21.
What is the InChIKey of 1-[(7R)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methoxyethanone?
The InChIKey is BFHVTEIRKBDADK-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-19-8-11-7-16(12(17)9-18-3)6-10-5-14-15(2)13(10)11/h5,11H,4,6-9H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-[(7R)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methoxyethanone?
1-[(7R)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methoxyethanone has a molecular weight of 267.33 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7R)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methoxyethanone is sourced from PubChem (CID 97382738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).