(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

C21H22F2N4O3 — CID 146070705

IUPAC(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
SMILESCCOCCn1nc(-c2ncc(C)o2)c2c1CCN(C(=O)c1ccc(F)cc1F)C2
InChIInChI=1S/C21H22F2N4O3/c1-3-29-9-8-27-18-6-7-26(21(28)15-5-4-14(22)10-17(15)23)12-16(18)19(25-27)20-24-11-13(2)30-20/h4-5,10-11H,3,6-9,12H2,1-2H3
InChIKeyFWOMAZDOJNFISA-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.36
Rot. Bonds6

About (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

(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 (PubChem CID 146070705) has the molecular formula C21H22F2N4O3 and a molecular weight of 416.43 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146070705
Molecular FormulaC21H22F2N4O3
Molecular Weight416.43 g/mol
Exact Mass416.17
IUPAC Name(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
SMILESCCOCCn1nc(-c2ncc(C)o2)c2c1CCN(C(=O)c1ccc(F)cc1F)C2
InChIInChI=1S/C21H22F2N4O3/c1-3-29-9-8-27-18-6-7-26(21(28)15-5-4-14(22)10-17(15)23)12-16(18)19(25-27)20-24-11-13(2)30-20/h4-5,10-11H,3,6-9,12H2,1-2H3
InChIKeyFWOMAZDOJNFISA-UHFFFAOYSA-N
XLogP3.36
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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-(2-fluorophenyl)ethanone
CID 146070668
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
(2,4-difluorophenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110476783
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
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
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
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-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole
CID 146067023
[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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCOCCn1nc(-c2ncc(C)o2)c2c1CCN(C(=O)c1ccc(F)cc1F)C2.
What is the InChIKey of (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?
The InChIKey is FWOMAZDOJNFISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O3/c1-3-29-9-8-27-18-6-7-26(21(28)15-5-4-14(22)10-17(15)23)12-16(18)19(25-27)20-24-11-13(2)30-20/h4-5,10-11H,3,6-9,12H2,1-2H3.
What are the key properties of (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?
(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 has a molecular weight of 416.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 146070705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).