6-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one

C16H18N6O3S — CID 166358995

IUPAC6-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one
SMILESCc1nn(C)c2ncc(S(=O)(=O)N3CCc4c(cnn(C)c4=O)C3)cc12
InChIInChI=1S/C16H18N6O3S/c1-10-14-6-12(8-17-15(14)20(2)19-10)26(24,25)22-5-4-13-11(9-22)7-18-21(3)16(13)23/h6-8H,4-5,9H2,1-3H3
InChIKeyFXVOBQFJAYDLHT-UHFFFAOYSA-N
MW374.43 g/mol
LogP0.12
Rot. Bonds2

About 6-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one

6-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one (PubChem CID 166358995) has the molecular formula C16H18N6O3S and a molecular weight of 374.43 g/mol. Its IUPAC name is 6-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one.

Molecular Properties

Compound Name6-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one
PubChem CID166358995
Molecular FormulaC16H18N6O3S
Molecular Weight374.43 g/mol
Exact Mass374.12
IUPAC Name6-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one
SMILESCc1nn(C)c2ncc(S(=O)(=O)N3CCc4c(cnn(C)c4=O)C3)cc12
InChIInChI=1S/C16H18N6O3S/c1-10-14-6-12(8-17-15(14)20(2)19-10)26(24,25)22-5-4-13-11(9-22)7-18-21(3)16(13)23/h6-8H,4-5,9H2,1-3H3
InChIKeyFXVOBQFJAYDLHT-UHFFFAOYSA-N
XLogP0.12
TPSA102.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one?
The IUPAC name of 6-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one (CID 166358995) is 6-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one.
What is the SMILES notation for 6-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one?
The canonical SMILES for 6-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one is Cc1nn(C)c2ncc(S(=O)(=O)N3CCc4c(cnn(C)c4=O)C3)cc12.
What is the InChIKey of 6-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one?
The InChIKey is FXVOBQFJAYDLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3S/c1-10-14-6-12(8-17-15(14)20(2)19-10)26(24,25)22-5-4-13-11(9-22)7-18-21(3)16(13)23/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 6-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one?
6-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one has a molecular weight of 374.43 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one is sourced from PubChem (CID 166358995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).