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

C18H19N5O2 — CID 121373393

IUPAC1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(-c4cnco4)c3)nn2C)C1
InChIInChI=1S/C18H19N5O2/c1-12(24)23-7-6-16-15(10-23)18(21-22(16)2)20-14-5-3-4-13(8-14)17-9-19-11-25-17/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,20,21)
InChIKeyUHKKPBKHDORUNF-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.72
Rot. Bonds3

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

1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121373393) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121373393
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(-c4cnco4)c3)nn2C)C1
InChIInChI=1S/C18H19N5O2/c1-12(24)23-7-6-16-15(10-23)18(21-22(16)2)20-14-5-3-4-13(8-14)17-9-19-11-25-17/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,20,21)
InChIKeyUHKKPBKHDORUNF-UHFFFAOYSA-N
XLogP2.72
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121373393) is 1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3cccc(-c4cnco4)c3)nn2C)C1.
What is the InChIKey of 1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is UHKKPBKHDORUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12(24)23-7-6-16-15(10-23)18(21-22(16)2)20-14-5-3-4-13(8-14)17-9-19-11-25-17/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,20,21).
What are the key properties of 1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 337.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121373393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).