3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one

C26H26N4O4S — CID 148584063

IUPAC3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one
SMILESO=C(CCc1ccc(S(=O)(=O)c2ccccc2CN2CCOCC2)cc1)c1cnc2[nH]ncc2c1
InChIInChI=1S/C26H26N4O4S/c31-24(21-15-22-17-28-29-26(22)27-16-21)10-7-19-5-8-23(9-6-19)35(32,33)25-4-2-1-3-20(25)18-30-11-13-34-14-12-30/h1-6,8-9,15-17H,7,10-14,18H2,(H,27,28,29)
InChIKeyMZIDJOWMUZXKMG-UHFFFAOYSA-N
MW490.59 g/mol
LogP3.44
Rot. Bonds8

About 3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one

3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one (PubChem CID 148584063) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is 3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one
PubChem CID148584063
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC Name3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one
SMILESO=C(CCc1ccc(S(=O)(=O)c2ccccc2CN2CCOCC2)cc1)c1cnc2[nH]ncc2c1
InChIInChI=1S/C26H26N4O4S/c31-24(21-15-22-17-28-29-26(22)27-16-21)10-7-19-5-8-23(9-6-19)35(32,33)25-4-2-1-3-20(25)18-30-11-13-34-14-12-30/h1-6,8-9,15-17H,7,10-14,18H2,(H,27,28,29)
InChIKeyMZIDJOWMUZXKMG-UHFFFAOYSA-N
XLogP3.44
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

3-[4-(1,3-benzodioxol-4-ylsulfonyl)phenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one
CID 162001333
1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]propan-1-one
CID 161477480
1-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-(4-quinolin-6-ylsulfonylphenyl)propan-1-one
CID 159975986
3-[4-(3-fluoro-5-methylphenyl)sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one
CID 159840003
3-[4-(2-methyl-4-pyrazol-1-ylphenyl)sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one
CID 160745513
3-[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one
CID 159540448
N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70984780
1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]propan-1-one
CID 162062654
3-(4-morpholin-4-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 2330582
(4-piperazin-1-ylsulfonylphenyl)methanamine;1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 172816017
lithium 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate
CID 118364714
CID 131887032
CID 131887032

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one?
The IUPAC name of 3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one (CID 148584063) is 3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one?
The canonical SMILES for 3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one is O=C(CCc1ccc(S(=O)(=O)c2ccccc2CN2CCOCC2)cc1)c1cnc2[nH]ncc2c1.
What is the InChIKey of 3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one?
The InChIKey is MZIDJOWMUZXKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c31-24(21-15-22-17-28-29-26(22)27-16-21)10-7-19-5-8-23(9-6-19)35(32,33)25-4-2-1-3-20(25)18-30-11-13-34-14-12-30/h1-6,8-9,15-17H,7,10-14,18H2,(H,27,28,29).
What are the key properties of 3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one?
3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one has a molecular weight of 490.59 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 148584063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).