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

C16H21N3O3 — CID 131645666

IUPAC(2,5-dimethylfuran-3-yl)-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
SMILESCOCC1CN(C(=O)c2cc(C)oc2C)Cc2c1cnn2C
InChIInChI=1S/C16H21N3O3/c1-10-5-13(11(2)22-10)16(20)19-7-12(9-21-4)14-6-17-18(3)15(14)8-19/h5-6,12H,7-9H2,1-4H3
InChIKeyDSHGVWCZWOSZBT-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.02
Rot. Bonds3

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

(2,5-dimethylfuran-3-yl)-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone (PubChem CID 131645666) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
PubChem CID131645666
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(2,5-dimethylfuran-3-yl)-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
SMILESCOCC1CN(C(=O)c2cc(C)oc2C)Cc2c1cnn2C
InChIInChI=1S/C16H21N3O3/c1-10-5-13(11(2)22-10)16(20)19-7-12(9-21-4)14-6-17-18(3)15(14)8-19/h5-6,12H,7-9H2,1-4H3
InChIKeyDSHGVWCZWOSZBT-UHFFFAOYSA-N
XLogP2.02
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone (CID 131645666) is (2,5-dimethylfuran-3-yl)-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone is COCC1CN(C(=O)c2cc(C)oc2C)Cc2c1cnn2C.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?
The InChIKey is DSHGVWCZWOSZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-5-13(11(2)22-10)16(20)19-7-12(9-21-4)14-6-17-18(3)15(14)8-19/h5-6,12H,7-9H2,1-4H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?
(2,5-dimethylfuran-3-yl)-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone has a molecular weight of 303.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[4-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 131645666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).