6-[(5-fluoro-2-pyridinyl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one

C18H14FN5O3S — CID 164548823

IUPAC6-[(5-fluoro-2-pyridinyl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one
SMILESCS(=O)(=O)c1ccc(-n2[nH]c(=O)c3cnc(Nc4ccc(F)cn4)cc32)cc1
InChIInChI=1S/C18H14FN5O3S/c1-28(26,27)13-5-3-12(4-6-13)24-15-8-17(21-10-14(15)18(25)23-24)22-16-7-2-11(19)9-20-16/h2-10H,1H3,(H,23,25)(H,20,21,22)
InChIKeyBCXOXRXZQURMKL-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.39
Rot. Bonds4

About 6-[(5-fluoro-2-pyridinyl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one

6-[(5-fluoro-2-pyridinyl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 164548823) has the molecular formula C18H14FN5O3S and a molecular weight of 399.41 g/mol. Its IUPAC name is 6-[(5-fluoro-2-pyridinyl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name6-[(5-fluoro-2-pyridinyl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID164548823
Molecular FormulaC18H14FN5O3S
Molecular Weight399.41 g/mol
Exact Mass399.08
IUPAC Name6-[(5-fluoro-2-pyridinyl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one
SMILESCS(=O)(=O)c1ccc(-n2[nH]c(=O)c3cnc(Nc4ccc(F)cn4)cc32)cc1
InChIInChI=1S/C18H14FN5O3S/c1-28(26,27)13-5-3-12(4-6-13)24-15-8-17(21-10-14(15)18(25)23-24)22-16-7-2-11(19)9-20-16/h2-10H,1H3,(H,23,25)(H,20,21,22)
InChIKeyBCXOXRXZQURMKL-UHFFFAOYSA-N
XLogP2.39
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-2-pyridinyl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 6-[(5-fluoro-2-pyridinyl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one (CID 164548823) is 6-[(5-fluoro-2-pyridinyl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 6-[(5-fluoro-2-pyridinyl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 6-[(5-fluoro-2-pyridinyl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one is CS(=O)(=O)c1ccc(-n2[nH]c(=O)c3cnc(Nc4ccc(F)cn4)cc32)cc1.
What is the InChIKey of 6-[(5-fluoro-2-pyridinyl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is BCXOXRXZQURMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O3S/c1-28(26,27)13-5-3-12(4-6-13)24-15-8-17(21-10-14(15)18(25)23-24)22-16-7-2-11(19)9-20-16/h2-10H,1H3,(H,23,25)(H,20,21,22).
What are the key properties of 6-[(5-fluoro-2-pyridinyl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one?
6-[(5-fluoro-2-pyridinyl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 399.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-2-pyridinyl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 164548823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).