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

C23H25N7O3S — CID 121476666

IUPAC5-propan-2-yloxy-3-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCC(C)Oc1cc2c(-c3ccnc(N4CCN(S(=O)(=O)c5cccnc5)CC4)c3)n[nH]c2cn1
InChIInChI=1S/C23H25N7O3S/c1-16(2)33-22-13-19-20(15-26-22)27-28-23(19)17-5-7-25-21(12-17)29-8-10-30(11-9-29)34(31,32)18-4-3-6-24-14-18/h3-7,12-16H,8-11H2,1-2H3,(H,27,28)
InChIKeyOPXFAHWMVBWSEW-UHFFFAOYSA-N
MW479.57 g/mol
LogP2.71
Rot. Bonds6

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

5-propan-2-yloxy-3-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 121476666) has the molecular formula C23H25N7O3S and a molecular weight of 479.57 g/mol. Its IUPAC name is 5-propan-2-yloxy-3-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-propan-2-yloxy-3-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID121476666
Molecular FormulaC23H25N7O3S
Molecular Weight479.57 g/mol
Exact Mass479.17
IUPAC Name5-propan-2-yloxy-3-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCC(C)Oc1cc2c(-c3ccnc(N4CCN(S(=O)(=O)c5cccnc5)CC4)c3)n[nH]c2cn1
InChIInChI=1S/C23H25N7O3S/c1-16(2)33-22-13-19-20(15-26-22)27-28-23(19)17-5-7-25-21(12-17)29-8-10-30(11-9-29)34(31,32)18-4-3-6-24-14-18/h3-7,12-16H,8-11H2,1-2H3,(H,27,28)
InChIKeyOPXFAHWMVBWSEW-UHFFFAOYSA-N
XLogP2.71
TPSA117.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-propan-2-yloxy-3-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxy-3-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-propan-2-yloxy-3-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (CID 121476666) is 5-propan-2-yloxy-3-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-propan-2-yloxy-3-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-propan-2-yloxy-3-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is CC(C)Oc1cc2c(-c3ccnc(N4CCN(S(=O)(=O)c5cccnc5)CC4)c3)n[nH]c2cn1.
What is the InChIKey of 5-propan-2-yloxy-3-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is OPXFAHWMVBWSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3S/c1-16(2)33-22-13-19-20(15-26-22)27-28-23(19)17-5-7-25-21(12-17)29-8-10-30(11-9-29)34(31,32)18-4-3-6-24-14-18/h3-7,12-16H,8-11H2,1-2H3,(H,27,28).
What are the key properties of 5-propan-2-yloxy-3-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
5-propan-2-yloxy-3-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 479.57 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-3-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 121476666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).