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

C22H25FN4O3 — CID 146070668

IUPAC1-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-fluorophenyl)ethanone
SMILESCCOCCn1nc(-c2ncc(C)o2)c2c1CCN(C(=O)Cc1ccccc1F)C2
InChIInChI=1S/C22H25FN4O3/c1-3-29-11-10-27-19-8-9-26(20(28)12-16-6-4-5-7-18(16)23)14-17(19)21(25-27)22-24-13-15(2)30-22/h4-7,13H,3,8-12,14H2,1-2H3
InChIKeyJNDKPFGNABNKNQ-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.15
Rot. Bonds7

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

1-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-fluorophenyl)ethanone (PubChem CID 146070668) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is 1-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-fluorophenyl)ethanone
PubChem CID146070668
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC Name1-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-fluorophenyl)ethanone
SMILESCCOCCn1nc(-c2ncc(C)o2)c2c1CCN(C(=O)Cc1ccccc1F)C2
InChIInChI=1S/C22H25FN4O3/c1-3-29-11-10-27-19-8-9-26(20(28)12-16-6-4-5-7-18(16)23)14-17(19)21(25-27)22-24-13-15(2)30-22/h4-7,13H,3,8-12,14H2,1-2H3
InChIKeyJNDKPFGNABNKNQ-UHFFFAOYSA-N
XLogP3.15
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-fluorophenyl)ethanone with MolForge

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Related Compounds

(2,4-difluorophenyl)-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 146070705
(3-chloro-4-fluorophenyl)-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 146070702
1-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-ethylbutan-1-one
CID 146070669
cyclopentyl-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 146070710
1-[1-benzyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 146070746
1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone
CID 146067102
3-(3,5-dimethylpyrazol-1-yl)-1-[1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 146068052
N-cyclopentyl-1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 146067038
[3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone
CID 146066968
1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 146068050
2-(3-chlorophenyl)-1-[3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 146067119
1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 50834076

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-fluorophenyl)ethanone (CID 146070668) is 1-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-fluorophenyl)ethanone is CCOCCn1nc(-c2ncc(C)o2)c2c1CCN(C(=O)Cc1ccccc1F)C2.
What is the InChIKey of 1-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-fluorophenyl)ethanone?
The InChIKey is JNDKPFGNABNKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c1-3-29-11-10-27-19-8-9-26(20(28)12-16-6-4-5-7-18(16)23)14-17(19)21(25-27)22-24-13-15(2)30-22/h4-7,13H,3,8-12,14H2,1-2H3.
What are the key properties of 1-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-fluorophenyl)ethanone?
1-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-fluorophenyl)ethanone has a molecular weight of 412.47 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 146070668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).