[4-[5-[4-(hydroxy-methyl-morpholin-4-yl-oxo-λ6-sulfanyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine

C22H30N6O4S — CID 143698255

IUPAC[4-[5-[4-(hydroxy-methyl-morpholin-4-yl-oxo-λ6-sulfanyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine
SMILESCS(=O)(O)(c1ccc(-c2cnc3[nH]ncc3c2N2CCOC(CN)C2)cc1)N1CCOCC1
InChIInChI=1S/C22H30N6O4S/c1-33(29,30,28-7-9-31-10-8-28)18-4-2-16(3-5-18)19-13-24-22-20(14-25-26-22)21(19)27-6-11-32-17(12-23)15-27/h2-5,13-14,17H,6-12,15,23H2,1H3,(H,29,30)(H,24,25,26)
InChIKeyDMNWYHCESCMFGS-UHFFFAOYSA-N
MW474.59 g/mol
LogP1.32
Rot. Bonds5

About [4-[5-[4-(hydroxy-methyl-morpholin-4-yl-oxo-λ6-sulfanyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine

[4-[5-[4-(hydroxy-methyl-morpholin-4-yl-oxo-λ6-sulfanyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine (PubChem CID 143698255) has the molecular formula C22H30N6O4S and a molecular weight of 474.59 g/mol. Its IUPAC name is [4-[5-[4-(hydroxy-methyl-morpholin-4-yl-oxo-λ6-sulfanyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[5-[4-(hydroxy-methyl-morpholin-4-yl-oxo-λ6-sulfanyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine
PubChem CID143698255
Molecular FormulaC22H30N6O4S
Molecular Weight474.59 g/mol
Exact Mass474.20
IUPAC Name[4-[5-[4-(hydroxy-methyl-morpholin-4-yl-oxo-λ6-sulfanyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine
SMILESCS(=O)(O)(c1ccc(-c2cnc3[nH]ncc3c2N2CCOC(CN)C2)cc1)N1CCOCC1
InChIInChI=1S/C22H30N6O4S/c1-33(29,30,28-7-9-31-10-8-28)18-4-2-16(3-5-18)19-13-24-22-20(14-25-26-22)21(19)27-6-11-32-17(12-23)15-27/h2-5,13-14,17H,6-12,15,23H2,1H3,(H,29,30)(H,24,25,26)
InChIKeyDMNWYHCESCMFGS-UHFFFAOYSA-N
XLogP1.32
TPSA129.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [4-[5-[4-(hydroxy-methyl-morpholin-4-yl-oxo-λ6-sulfanyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine with MolForge

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Related Compounds

[4-[5-(2-chlorophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine
CID 71091692
[4-[5-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine
CID 71091776
7-[2-(aminomethyl)morpholin-4-yl]-6-phenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 69168398
ethane;[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine
CID 143698287
[4-[1-[(4-methoxyphenyl)methyl]-5-phenylpyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methylcarbamic acid
CID 69197770
5-[4-[2-(aminomethyl)morpholin-4-yl]-5,6-difluoro-8-(methylamino)-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile
CID 146641858
6-(2-ethylmorpholin-4-yl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137272058
[4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanamine
CID 116976332
2-[2-(aminomethyl)morpholin-4-yl]pyridine-4-carboxamide
CID 114399474
3-[4-[2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide;ethane
CID 143698276
S-ethyl 2-[2-(aminomethyl)morpholin-4-yl]pyrimidine-5-carbothioate
CID 143330598
[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanol
CID 81208839

Frequently Asked Questions

What is the IUPAC name of [4-[5-[4-(hydroxy-methyl-morpholin-4-yl-oxo-λ6-sulfanyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[5-[4-(hydroxy-methyl-morpholin-4-yl-oxo-λ6-sulfanyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine (CID 143698255) is [4-[5-[4-(hydroxy-methyl-morpholin-4-yl-oxo-λ6-sulfanyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[5-[4-(hydroxy-methyl-morpholin-4-yl-oxo-λ6-sulfanyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[5-[4-(hydroxy-methyl-morpholin-4-yl-oxo-λ6-sulfanyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine is CS(=O)(O)(c1ccc(-c2cnc3[nH]ncc3c2N2CCOC(CN)C2)cc1)N1CCOCC1.
What is the InChIKey of [4-[5-[4-(hydroxy-methyl-morpholin-4-yl-oxo-λ6-sulfanyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine?
The InChIKey is DMNWYHCESCMFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O4S/c1-33(29,30,28-7-9-31-10-8-28)18-4-2-16(3-5-18)19-13-24-22-20(14-25-26-22)21(19)27-6-11-32-17(12-23)15-27/h2-5,13-14,17H,6-12,15,23H2,1H3,(H,29,30)(H,24,25,26).
What are the key properties of [4-[5-[4-(hydroxy-methyl-morpholin-4-yl-oxo-λ6-sulfanyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine?
[4-[5-[4-(hydroxy-methyl-morpholin-4-yl-oxo-λ6-sulfanyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine has a molecular weight of 474.59 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[4-(hydroxy-methyl-morpholin-4-yl-oxo-λ6-sulfanyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methanamine is sourced from PubChem (CID 143698255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).