[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone

C15H23N3O3 — CID 131659017

IUPAC[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone
SMILESCOCC1CN(C(=O)C2CCOCC2)Cc2cnn(C)c21
InChIInChI=1S/C15H23N3O3/c1-17-14-12(7-16-17)8-18(9-13(14)10-20-2)15(19)11-3-5-21-6-4-11/h7,11,13H,3-6,8-10H2,1-2H3
InChIKeyDIHYJBWDMUVRSR-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.92
Rot. Bonds3

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

[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone (PubChem CID 131659017) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone
PubChem CID131659017
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone
SMILESCOCC1CN(C(=O)C2CCOCC2)Cc2cnn(C)c21
InChIInChI=1S/C15H23N3O3/c1-17-14-12(7-16-17)8-18(9-13(14)10-20-2)15(19)11-3-5-21-6-4-11/h7,11,13H,3-6,8-10H2,1-2H3
InChIKeyDIHYJBWDMUVRSR-UHFFFAOYSA-N
XLogP0.92
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone?
The IUPAC name of [7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone (CID 131659017) is [7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone is COCC1CN(C(=O)C2CCOCC2)Cc2cnn(C)c21.
What is the InChIKey of [7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone?
The InChIKey is DIHYJBWDMUVRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-17-14-12(7-16-17)8-18(9-13(14)10-20-2)15(19)11-3-5-21-6-4-11/h7,11,13H,3-6,8-10H2,1-2H3.
What are the key properties of [7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone?
[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone has a molecular weight of 293.37 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 131659017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).