2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C12H19N3O3 — CID 155875901

IUPAC2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCOCC(=O)N1Cc2cn(C)nc2C(COC)C1
InChIInChI=1S/C12H19N3O3/c1-14-4-9-5-15(11(16)8-18-3)6-10(7-17-2)12(9)13-14/h4,10H,5-8H2,1-3H3
InChIKeyABYOAXJPAUQGAH-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.14
Rot. Bonds4

About 2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 155875901) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID155875901
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCOCC(=O)N1Cc2cn(C)nc2C(COC)C1
InChIInChI=1S/C12H19N3O3/c1-14-4-9-5-15(11(16)8-18-3)6-10(7-17-2)12(9)13-14/h4,10H,5-8H2,1-3H3
InChIKeyABYOAXJPAUQGAH-UHFFFAOYSA-N
XLogP0.14
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;2,2,2-trifluoroacetic acid
CID 118744328
(2-ethyl-5-methylpyrazol-3-yl)-[(7R)-7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 97368174
1-[(7R)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone
CID 97423285
1-[(7R)-7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone
CID 97468159
1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone
CID 131682911
[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone
CID 131683171
(7S)-7-(methoxymethyl)-2-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382471
1-[(7R)-2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one
CID 97468203
(7S)-5-benzylsulfonyl-7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97390586
1-[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-(1H-pyrrol-2-yl)propan-1-one
CID 155858194
[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 131683334
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 2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 155875901) is 2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is COCC(=O)N1Cc2cn(C)nc2C(COC)C1.
What is the InChIKey of 2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is ABYOAXJPAUQGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-14-4-9-5-15(11(16)8-18-3)6-10(7-17-2)12(9)13-14/h4,10H,5-8H2,1-3H3.
What are the key properties of 2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 253.30 g/mol, XLogP of 0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 155875901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).