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

C18H14F2N6O — CID 164548883

IUPAC1-(2,3-difluorophenyl)-6-[(2,6-dimethylpyrimidin-4-yl)amino]-2H-pyrazolo[4,3-c]pyridin-3-one
SMILESCc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2cccc(F)c2F)nc(C)n1
InChIInChI=1S/C18H14F2N6O/c1-9-6-16(23-10(2)22-9)24-15-7-14-11(8-21-15)18(27)25-26(14)13-5-3-4-12(19)17(13)20/h3-8H,1-2H3,(H,25,27)(H,21,22,23,24)
InChIKeyWRAVUKMOFGQLBT-UHFFFAOYSA-N
MW368.35 g/mol
LogP3.14
Rot. Bonds3

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

1-(2,3-difluorophenyl)-6-[(2,6-dimethylpyrimidin-4-yl)amino]-2H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 164548883) has the molecular formula C18H14F2N6O and a molecular weight of 368.35 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-6-[(2,6-dimethylpyrimidin-4-yl)amino]-2H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-6-[(2,6-dimethylpyrimidin-4-yl)amino]-2H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID164548883
Molecular FormulaC18H14F2N6O
Molecular Weight368.35 g/mol
Exact Mass368.12
IUPAC Name1-(2,3-difluorophenyl)-6-[(2,6-dimethylpyrimidin-4-yl)amino]-2H-pyrazolo[4,3-c]pyridin-3-one
SMILESCc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2cccc(F)c2F)nc(C)n1
InChIInChI=1S/C18H14F2N6O/c1-9-6-16(23-10(2)22-9)24-15-7-14-11(8-21-15)18(27)25-26(14)13-5-3-4-12(19)17(13)20/h3-8H,1-2H3,(H,25,27)(H,21,22,23,24)
InChIKeyWRAVUKMOFGQLBT-UHFFFAOYSA-N
XLogP3.14
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-6-[(2,6-dimethylpyrimidin-4-yl)amino]-2H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 1-(2,3-difluorophenyl)-6-[(2,6-dimethylpyrimidin-4-yl)amino]-2H-pyrazolo[4,3-c]pyridin-3-one (CID 164548883) is 1-(2,3-difluorophenyl)-6-[(2,6-dimethylpyrimidin-4-yl)amino]-2H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 1-(2,3-difluorophenyl)-6-[(2,6-dimethylpyrimidin-4-yl)amino]-2H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 1-(2,3-difluorophenyl)-6-[(2,6-dimethylpyrimidin-4-yl)amino]-2H-pyrazolo[4,3-c]pyridin-3-one is Cc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2cccc(F)c2F)nc(C)n1.
What is the InChIKey of 1-(2,3-difluorophenyl)-6-[(2,6-dimethylpyrimidin-4-yl)amino]-2H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is WRAVUKMOFGQLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6O/c1-9-6-16(23-10(2)22-9)24-15-7-14-11(8-21-15)18(27)25-26(14)13-5-3-4-12(19)17(13)20/h3-8H,1-2H3,(H,25,27)(H,21,22,23,24).
What are the key properties of 1-(2,3-difluorophenyl)-6-[(2,6-dimethylpyrimidin-4-yl)amino]-2H-pyrazolo[4,3-c]pyridin-3-one?
1-(2,3-difluorophenyl)-6-[(2,6-dimethylpyrimidin-4-yl)amino]-2H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 368.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-6-[(2,6-dimethylpyrimidin-4-yl)amino]-2H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 164548883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).