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

C18H19N5OS — CID 121373016

IUPAC1-[1-methyl-3-[4-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cncs4)cc3)nn2C)C1
InChIInChI=1S/C18H19N5OS/c1-12(24)23-8-7-16-15(10-23)18(21-22(16)2)20-14-5-3-13(4-6-14)17-9-19-11-25-17/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,21)
InChIKeyWMISJFVLUPHOEN-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.19
Rot. Bonds3

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

1-[1-methyl-3-[4-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121373016) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-[1-methyl-3-[4-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-3-[4-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121373016
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name1-[1-methyl-3-[4-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cncs4)cc3)nn2C)C1
InChIInChI=1S/C18H19N5OS/c1-12(24)23-8-7-16-15(10-23)18(21-22(16)2)20-14-5-3-13(4-6-14)17-9-19-11-25-17/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,21)
InChIKeyWMISJFVLUPHOEN-UHFFFAOYSA-N
XLogP3.19
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.19
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-[4-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-methyl-3-[4-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121373016) is 1-[1-methyl-3-[4-(1,3-thiazol-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-[4-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-methyl-3-[4-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4cncs4)cc3)nn2C)C1.
What is the InChIKey of 1-[1-methyl-3-[4-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is WMISJFVLUPHOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-12(24)23-8-7-16-15(10-23)18(21-22(16)2)20-14-5-3-13(4-6-14)17-9-19-11-25-17/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,21).
What are the key properties of 1-[1-methyl-3-[4-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-methyl-3-[4-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 353.45 g/mol, XLogP of 3.19, 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-[4-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121373016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).