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

C15H19N3O3 — CID 131659554

IUPAC[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
SMILESCCn1ncc2c1C(COC)CN(C(=O)c1ccoc1)C2
InChIInChI=1S/C15H19N3O3/c1-3-18-14-12(6-16-18)7-17(8-13(14)9-20-2)15(19)11-4-5-21-10-11/h4-6,10,13H,3,7-9H2,1-2H3
InChIKeySYJAXDRXDQUMAA-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.88
Rot. Bonds4

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

[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone (PubChem CID 131659554) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is [1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
PubChem CID131659554
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
SMILESCCn1ncc2c1C(COC)CN(C(=O)c1ccoc1)C2
InChIInChI=1S/C15H19N3O3/c1-3-18-14-12(6-16-18)7-17(8-13(14)9-20-2)15(19)11-4-5-21-10-11/h4-6,10,13H,3,7-9H2,1-2H3
InChIKeySYJAXDRXDQUMAA-UHFFFAOYSA-N
XLogP1.88
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-2-yl)methanone
CID 97382796
[(7R)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-2-yl)methanone
CID 97382797
[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(3-fluorophenyl)methanone
CID 131658305
[(7S)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 97382719
[(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 97468451
[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 131653165
[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-4-ylmethanone
CID 97382674
[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone
CID 131657777
[(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 97415434
(7R)-1-ethyl-7-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 97382785
[(7S)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone
CID 97468368
cyclopenten-1-yl-[(7R)-1-(cyclopentylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone
CID 97468553

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone?
The IUPAC name of [1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone (CID 131659554) is [1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone?
The canonical SMILES for [1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone is CCn1ncc2c1C(COC)CN(C(=O)c1ccoc1)C2.
What is the InChIKey of [1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone?
The InChIKey is SYJAXDRXDQUMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-18-14-12(6-16-18)7-17(8-13(14)9-20-2)15(19)11-4-5-21-10-11/h4-6,10,13H,3,7-9H2,1-2H3.
What are the key properties of [1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone?
[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone has a molecular weight of 289.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 131659554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).