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

C19H18N6O3S — CID 164548936

IUPAC6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one
SMILESCc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2ccc(S(C)(=O)=O)cc2)nc(C)n1
InChIInChI=1S/C19H18N6O3S/c1-11-8-18(22-12(2)21-11)23-17-9-16-15(10-20-17)19(26)24-25(16)13-4-6-14(7-5-13)29(3,27)28/h4-10H,1-3H3,(H,24,26)(H,20,21,22,23)
InChIKeyCJJVZLMQQIVACO-UHFFFAOYSA-N
MW410.46 g/mol
LogP2.27
Rot. Bonds4

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

6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 164548936) has the molecular formula C19H18N6O3S and a molecular weight of 410.46 g/mol. Its IUPAC name is 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID164548936
Molecular FormulaC19H18N6O3S
Molecular Weight410.46 g/mol
Exact Mass410.12
IUPAC Name6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one
SMILESCc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2ccc(S(C)(=O)=O)cc2)nc(C)n1
InChIInChI=1S/C19H18N6O3S/c1-11-8-18(22-12(2)21-11)23-17-9-16-15(10-20-17)19(26)24-25(16)13-4-6-14(7-5-13)29(3,27)28/h4-10H,1-3H3,(H,24,26)(H,20,21,22,23)
InChIKeyCJJVZLMQQIVACO-UHFFFAOYSA-N
XLogP2.27
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one (CID 164548936) is 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one is Cc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2ccc(S(C)(=O)=O)cc2)nc(C)n1.
What is the InChIKey of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is CJJVZLMQQIVACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3S/c1-11-8-18(22-12(2)21-11)23-17-9-16-15(10-20-17)19(26)24-25(16)13-4-6-14(7-5-13)29(3,27)28/h4-10H,1-3H3,(H,24,26)(H,20,21,22,23).
What are the key properties of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one?
6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 410.46 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(4-methylsulfonylphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 164548936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).