3-[2-(4-ethylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine

C20H26N6O3S — CID 121476663

IUPAC3-[2-(4-ethylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
SMILESCCS(=O)(=O)N1CCN(c2cc(-c3n[nH]c4cnc(OC(C)C)cc34)ccn2)CC1
InChIInChI=1S/C20H26N6O3S/c1-4-30(27,28)26-9-7-25(8-10-26)18-11-15(5-6-21-18)20-16-12-19(29-14(2)3)22-13-17(16)23-24-20/h5-6,11-14H,4,7-10H2,1-3H3,(H,23,24)
InChIKeyWNUUEVJNAZMBMN-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.28
Rot. Bonds6

About 3-[2-(4-ethylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine

3-[2-(4-ethylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine (PubChem CID 121476663) has the molecular formula C20H26N6O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is 3-[2-(4-ethylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[2-(4-ethylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
PubChem CID121476663
Molecular FormulaC20H26N6O3S
Molecular Weight430.53 g/mol
Exact Mass430.18
IUPAC Name3-[2-(4-ethylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
SMILESCCS(=O)(=O)N1CCN(c2cc(-c3n[nH]c4cnc(OC(C)C)cc34)ccn2)CC1
InChIInChI=1S/C20H26N6O3S/c1-4-30(27,28)26-9-7-25(8-10-26)18-11-15(5-6-21-18)20-16-12-19(29-14(2)3)22-13-17(16)23-24-20/h5-6,11-14H,4,7-10H2,1-3H3,(H,23,24)
InChIKeyWNUUEVJNAZMBMN-UHFFFAOYSA-N
XLogP2.28
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[2-(4-ethylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine (CID 121476663) is 3-[2-(4-ethylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[2-(4-ethylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[2-(4-ethylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine is CCS(=O)(=O)N1CCN(c2cc(-c3n[nH]c4cnc(OC(C)C)cc34)ccn2)CC1.
What is the InChIKey of 3-[2-(4-ethylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is WNUUEVJNAZMBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3S/c1-4-30(27,28)26-9-7-25(8-10-26)18-11-15(5-6-21-18)20-16-12-19(29-14(2)3)22-13-17(16)23-24-20/h5-6,11-14H,4,7-10H2,1-3H3,(H,23,24).
What are the key properties of 3-[2-(4-ethylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine?
3-[2-(4-ethylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 430.53 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylsulfonylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 121476663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).