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

C17H23N3O3 — CID 118742743

IUPAC(2,5-dimethylfuran-3-yl)-[1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
SMILESCCn1ncc2c1CN(C(=O)c1cc(C)oc1C)CC2COC
InChIInChI=1S/C17H23N3O3/c1-5-20-16-9-19(8-13(10-22-4)15(16)7-18-20)17(21)14-6-11(2)23-12(14)3/h6-7,13H,5,8-10H2,1-4H3
InChIKeyVHDSBXKYBNWHIF-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.50
Rot. Bonds4

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

(2,5-dimethylfuran-3-yl)-[1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone (PubChem CID 118742743) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
PubChem CID118742743
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(2,5-dimethylfuran-3-yl)-[1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
SMILESCCn1ncc2c1CN(C(=O)c1cc(C)oc1C)CC2COC
InChIInChI=1S/C17H23N3O3/c1-5-20-16-9-19(8-13(10-22-4)15(16)7-18-20)17(21)14-6-11(2)23-12(14)3/h6-7,13H,5,8-10H2,1-4H3
InChIKeyVHDSBXKYBNWHIF-UHFFFAOYSA-N
XLogP2.50
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.50
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)-[1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone (CID 118742743) is (2,5-dimethylfuran-3-yl)-[1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone is CCn1ncc2c1CN(C(=O)c1cc(C)oc1C)CC2COC.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?
The InChIKey is VHDSBXKYBNWHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-5-20-16-9-19(8-13(10-22-4)15(16)7-18-20)17(21)14-6-11(2)23-12(14)3/h6-7,13H,5,8-10H2,1-4H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?
(2,5-dimethylfuran-3-yl)-[1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone has a molecular weight of 317.39 g/mol, XLogP of 2.50, 4 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)-[1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 118742743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).