6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluorophenyl)-2H-pyrazolo[4,3-c]pyridin-3-one

C18H15FN6O — CID 164548879

IUPAC6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluorophenyl)-2H-pyrazolo[4,3-c]pyridin-3-one
SMILESCc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2ccccc2F)nc(C)n1
InChIInChI=1S/C18H15FN6O/c1-10-7-17(22-11(2)21-10)23-16-8-15-12(9-20-16)18(26)24-25(15)14-6-4-3-5-13(14)19/h3-9H,1-2H3,(H,24,26)(H,20,21,22,23)
InChIKeyJFEGERXCKRDQQX-UHFFFAOYSA-N
MW350.36 g/mol
LogP3.00
Rot. Bonds3

About 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluorophenyl)-2H-pyrazolo[4,3-c]pyridin-3-one

6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluorophenyl)-2H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 164548879) has the molecular formula C18H15FN6O and a molecular weight of 350.36 g/mol. Its IUPAC name is 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluorophenyl)-2H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluorophenyl)-2H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID164548879
Molecular FormulaC18H15FN6O
Molecular Weight350.36 g/mol
Exact Mass350.13
IUPAC Name6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluorophenyl)-2H-pyrazolo[4,3-c]pyridin-3-one
SMILESCc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2ccccc2F)nc(C)n1
InChIInChI=1S/C18H15FN6O/c1-10-7-17(22-11(2)21-10)23-16-8-15-12(9-20-16)18(26)24-25(15)14-6-4-3-5-13(14)19/h3-9H,1-2H3,(H,24,26)(H,20,21,22,23)
InChIKeyJFEGERXCKRDQQX-UHFFFAOYSA-N
XLogP3.00
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluorophenyl)-2H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluorophenyl)-2H-pyrazolo[4,3-c]pyridin-3-one (CID 164548879) is 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluorophenyl)-2H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluorophenyl)-2H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluorophenyl)-2H-pyrazolo[4,3-c]pyridin-3-one is Cc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2ccccc2F)nc(C)n1.
What is the InChIKey of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluorophenyl)-2H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is JFEGERXCKRDQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O/c1-10-7-17(22-11(2)21-10)23-16-8-15-12(9-20-16)18(26)24-25(15)14-6-4-3-5-13(14)19/h3-9H,1-2H3,(H,24,26)(H,20,21,22,23).
What are the key properties of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluorophenyl)-2H-pyrazolo[4,3-c]pyridin-3-one?
6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluorophenyl)-2H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 350.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-fluorophenyl)-2H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 164548879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).