N-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropanesulfonamide

C21H21N7O3S — CID 167386361

IUPACN-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropanesulfonamide
SMILESCCOc1cncc(-c2cc3cnn(Cc4cc(NS(=O)(=O)C5CC5)ccn4)c3cn2)n1
InChIInChI=1S/C21H21N7O3S/c1-2-31-21-12-22-10-19(26-21)18-7-14-9-25-28(20(14)11-24-18)13-16-8-15(5-6-23-16)27-32(29,30)17-3-4-17/h5-12,17H,2-4,13H2,1H3,(H,23,27)
InChIKeyAYYKDQWVJNJJBZ-UHFFFAOYSA-N
MW451.51 g/mol
LogP2.63
Rot. Bonds8

About N-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropanesulfonamide

N-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropanesulfonamide (PubChem CID 167386361) has the molecular formula C21H21N7O3S and a molecular weight of 451.51 g/mol. Its IUPAC name is N-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropanesulfonamide
PubChem CID167386361
Molecular FormulaC21H21N7O3S
Molecular Weight451.51 g/mol
Exact Mass451.14
IUPAC NameN-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropanesulfonamide
SMILESCCOc1cncc(-c2cc3cnn(Cc4cc(NS(=O)(=O)C5CC5)ccn4)c3cn2)n1
InChIInChI=1S/C21H21N7O3S/c1-2-31-21-12-22-10-19(26-21)18-7-14-9-25-28(20(14)11-24-18)13-16-8-15(5-6-23-16)27-32(29,30)17-3-4-17/h5-12,17H,2-4,13H2,1H3,(H,23,27)
InChIKeyAYYKDQWVJNJJBZ-UHFFFAOYSA-N
XLogP2.63
TPSA124.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropanesulfonamide (CID 167386361) is N-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropanesulfonamide is CCOc1cncc(-c2cc3cnn(Cc4cc(NS(=O)(=O)C5CC5)ccn4)c3cn2)n1.
What is the InChIKey of N-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropanesulfonamide?
The InChIKey is AYYKDQWVJNJJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O3S/c1-2-31-21-12-22-10-19(26-21)18-7-14-9-25-28(20(14)11-24-18)13-16-8-15(5-6-23-16)27-32(29,30)17-3-4-17/h5-12,17H,2-4,13H2,1H3,(H,23,27).
What are the key properties of N-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropanesulfonamide?
N-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropanesulfonamide has a molecular weight of 451.51 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 167386361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).