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

C22H24FN5O3 — CID 121383171

IUPAC1-[3-[2-fluoro-4-(2-methyl-1,3-oxazol-5-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cnc(C)o4)cc3F)nn2C2CCOC2)C1
InChIInChI=1S/C22H24FN5O3/c1-13-24-10-21(31-13)15-3-4-19(18(23)9-15)25-22-17-11-27(14(2)29)7-5-20(17)28(26-22)16-6-8-30-12-16/h3-4,9-10,16H,5-8,11-12H2,1-2H3,(H,25,26)
InChIKeyUYMUMEWGYDCQCK-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.60
Rot. Bonds4

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

1-[3-[2-fluoro-4-(2-methyl-1,3-oxazol-5-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121383171) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 1-[3-[2-fluoro-4-(2-methyl-1,3-oxazol-5-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-fluoro-4-(2-methyl-1,3-oxazol-5-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121383171
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name1-[3-[2-fluoro-4-(2-methyl-1,3-oxazol-5-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cnc(C)o4)cc3F)nn2C2CCOC2)C1
InChIInChI=1S/C22H24FN5O3/c1-13-24-10-21(31-13)15-3-4-19(18(23)9-15)25-22-17-11-27(14(2)29)7-5-20(17)28(26-22)16-6-8-30-12-16/h3-4,9-10,16H,5-8,11-12H2,1-2H3,(H,25,26)
InChIKeyUYMUMEWGYDCQCK-UHFFFAOYSA-N
XLogP3.60
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-fluoro-4-(2-methyl-1,3-oxazol-5-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[2-fluoro-4-(2-methyl-1,3-oxazol-5-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121383171) is 1-[3-[2-fluoro-4-(2-methyl-1,3-oxazol-5-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-[2-fluoro-4-(2-methyl-1,3-oxazol-5-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[2-fluoro-4-(2-methyl-1,3-oxazol-5-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4cnc(C)o4)cc3F)nn2C2CCOC2)C1.
What is the InChIKey of 1-[3-[2-fluoro-4-(2-methyl-1,3-oxazol-5-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is UYMUMEWGYDCQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-13-24-10-21(31-13)15-3-4-19(18(23)9-15)25-22-17-11-27(14(2)29)7-5-20(17)28(26-22)16-6-8-30-12-16/h3-4,9-10,16H,5-8,11-12H2,1-2H3,(H,25,26).
What are the key properties of 1-[3-[2-fluoro-4-(2-methyl-1,3-oxazol-5-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[2-fluoro-4-(2-methyl-1,3-oxazol-5-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 425.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-fluoro-4-(2-methyl-1,3-oxazol-5-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121383171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).