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

C21H21N7O3S — CID 175710107

IUPAC1-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropane-1-sulfonamide
SMILESCCOc1cncc(-c2cc3cnn(Cc4cc(C5(S(N)(=O)=O)CC5)ccn4)c3cn2)n1
InChIInChI=1S/C21H21N7O3S/c1-2-31-20-12-23-10-18(27-20)17-7-14-9-26-28(19(14)11-25-17)13-16-8-15(3-6-24-16)21(4-5-21)32(22,29)30/h3,6-12H,2,4-5,13H2,1H3,(H2,22,29,30)
InChIKeyMZQOVUOMDJMJTM-UHFFFAOYSA-N
MW451.51 g/mol
LogP2.01
Rot. Bonds7

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

1-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropane-1-sulfonamide (PubChem CID 175710107) has the molecular formula C21H21N7O3S and a molecular weight of 451.51 g/mol. Its IUPAC name is 1-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropane-1-sulfonamide
PubChem CID175710107
Molecular FormulaC21H21N7O3S
Molecular Weight451.51 g/mol
Exact Mass451.14
IUPAC Name1-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropane-1-sulfonamide
SMILESCCOc1cncc(-c2cc3cnn(Cc4cc(C5(S(N)(=O)=O)CC5)ccn4)c3cn2)n1
InChIInChI=1S/C21H21N7O3S/c1-2-31-20-12-23-10-18(27-20)17-7-14-9-26-28(19(14)11-25-17)13-16-8-15(3-6-24-16)21(4-5-21)32(22,29)30/h3,6-12H,2,4-5,13H2,1H3,(H2,22,29,30)
InChIKeyMZQOVUOMDJMJTM-UHFFFAOYSA-N
XLogP2.01
TPSA138.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropane-1-sulfonamide?
The IUPAC name of 1-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropane-1-sulfonamide (CID 175710107) is 1-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropane-1-sulfonamide.
What is the SMILES notation for 1-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropane-1-sulfonamide?
The canonical SMILES for 1-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropane-1-sulfonamide is CCOc1cncc(-c2cc3cnn(Cc4cc(C5(S(N)(=O)=O)CC5)ccn4)c3cn2)n1.
What is the InChIKey of 1-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropane-1-sulfonamide?
The InChIKey is MZQOVUOMDJMJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O3S/c1-2-31-20-12-23-10-18(27-20)17-7-14-9-26-28(19(14)11-25-17)13-16-8-15(3-6-24-16)21(4-5-21)32(22,29)30/h3,6-12H,2,4-5,13H2,1H3,(H2,22,29,30).
What are the key properties of 1-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropane-1-sulfonamide?
1-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropane-1-sulfonamide has a molecular weight of 451.51 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 175710107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).