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

C24H27N7O3S — CID 121476670

IUPAC5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCC(C)Oc1cc2c(-c3ccnc(N4CCN(S(=O)(=O)Cc5ccccn5)CC4)c3)n[nH]c2cn1
InChIInChI=1S/C24H27N7O3S/c1-17(2)34-23-14-20-21(15-27-23)28-29-24(20)18-6-8-26-22(13-18)30-9-11-31(12-10-30)35(32,33)16-19-5-3-4-7-25-19/h3-8,13-15,17H,9-12,16H2,1-2H3,(H,28,29)
InChIKeyDYAZQGCXHLEHBD-UHFFFAOYSA-N
MW493.59 g/mol
LogP2.85
Rot. Bonds7

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

5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 121476670) has the molecular formula C24H27N7O3S and a molecular weight of 493.59 g/mol. Its IUPAC name is 5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID121476670
Molecular FormulaC24H27N7O3S
Molecular Weight493.59 g/mol
Exact Mass493.19
IUPAC Name5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCC(C)Oc1cc2c(-c3ccnc(N4CCN(S(=O)(=O)Cc5ccccn5)CC4)c3)n[nH]c2cn1
InChIInChI=1S/C24H27N7O3S/c1-17(2)34-23-14-20-21(15-27-23)28-29-24(20)18-6-8-26-22(13-18)30-9-11-31(12-10-30)35(32,33)16-19-5-3-4-7-25-19/h3-8,13-15,17H,9-12,16H2,1-2H3,(H,28,29)
InChIKeyDYAZQGCXHLEHBD-UHFFFAOYSA-N
XLogP2.85
TPSA117.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-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-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (CID 121476670) is 5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is CC(C)Oc1cc2c(-c3ccnc(N4CCN(S(=O)(=O)Cc5ccccn5)CC4)c3)n[nH]c2cn1.
What is the InChIKey of 5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is DYAZQGCXHLEHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3S/c1-17(2)34-23-14-20-21(15-27-23)28-29-24(20)18-6-8-26-22(13-18)30-9-11-31(12-10-30)35(32,33)16-19-5-3-4-7-25-19/h3-8,13-15,17H,9-12,16H2,1-2H3,(H,28,29).
What are the key properties of 5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
5-propan-2-yloxy-3-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 493.59 g/mol, XLogP of 2.85, 7 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-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 121476670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).