4-(4-chloro-2-methylsulfonylanilino)-6-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one

C20H26ClN7O3S — CID 146047410

IUPAC4-(4-chloro-2-methylsulfonylanilino)-6-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1ncc(NC2CC(Nc3ccc(Cl)cc3S(C)(=O)=O)C3C(=O)N(C)NC3N2)nc1C
InChIInChI=1S/C20H26ClN7O3S/c1-10-11(2)23-17(9-22-10)25-16-8-14(18-19(26-16)27-28(3)20(18)29)24-13-6-5-12(21)7-15(13)32(4,30)31/h5-7,9,14,16,18-19,24,26-27H,8H2,1-4H3,(H,23,25)
InChIKeyOEOZMQWDVIZMIP-UHFFFAOYSA-N
MW479.99 g/mol
LogP1.28
Rot. Bonds5

About 4-(4-chloro-2-methylsulfonylanilino)-6-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one

4-(4-chloro-2-methylsulfonylanilino)-6-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 146047410) has the molecular formula C20H26ClN7O3S and a molecular weight of 479.99 g/mol. Its IUPAC name is 4-(4-chloro-2-methylsulfonylanilino)-6-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name4-(4-chloro-2-methylsulfonylanilino)-6-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID146047410
Molecular FormulaC20H26ClN7O3S
Molecular Weight479.99 g/mol
Exact Mass479.15
IUPAC Name4-(4-chloro-2-methylsulfonylanilino)-6-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1ncc(NC2CC(Nc3ccc(Cl)cc3S(C)(=O)=O)C3C(=O)N(C)NC3N2)nc1C
InChIInChI=1S/C20H26ClN7O3S/c1-10-11(2)23-17(9-22-10)25-16-8-14(18-19(26-16)27-28(3)20(18)29)24-13-6-5-12(21)7-15(13)32(4,30)31/h5-7,9,14,16,18-19,24,26-27H,8H2,1-4H3,(H,23,25)
InChIKeyOEOZMQWDVIZMIP-UHFFFAOYSA-N
XLogP1.28
TPSA128.35 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-(4-chloro-2-methylsulfonylanilino)-6-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one with MolForge

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Related Compounds

CID 146047353
CID 146047353
CID 146047411
CID 146047411
CID 146047412
CID 146047412
CID 146047357
CID 146047357
CID 146047384
CID 146047384
CID 146047385
CID 146047385
CID 146047388
CID 146047388
CID 146047389
CID 146047389
CID 146047400
CID 146047400
CID 146047406
CID 146047406
CID 146047408
CID 146047408
CID 146047414
CID 146047414

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylsulfonylanilino)-6-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 4-(4-chloro-2-methylsulfonylanilino)-6-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one (CID 146047410) is 4-(4-chloro-2-methylsulfonylanilino)-6-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 4-(4-chloro-2-methylsulfonylanilino)-6-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 4-(4-chloro-2-methylsulfonylanilino)-6-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one is Cc1ncc(NC2CC(Nc3ccc(Cl)cc3S(C)(=O)=O)C3C(=O)N(C)NC3N2)nc1C.
What is the InChIKey of 4-(4-chloro-2-methylsulfonylanilino)-6-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is OEOZMQWDVIZMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN7O3S/c1-10-11(2)23-17(9-22-10)25-16-8-14(18-19(26-16)27-28(3)20(18)29)24-13-6-5-12(21)7-15(13)32(4,30)31/h5-7,9,14,16,18-19,24,26-27H,8H2,1-4H3,(H,23,25).
What are the key properties of 4-(4-chloro-2-methylsulfonylanilino)-6-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one?
4-(4-chloro-2-methylsulfonylanilino)-6-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 479.99 g/mol, XLogP of 1.28, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylsulfonylanilino)-6-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 146047410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).