N-[(E)-(1-methylsulfonylindol-3-yl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine

C25H32N6O5S — CID 59673876

IUPACN-[(E)-(1-methylsulfonylindol-3-yl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
SMILESCS(=O)(=O)n1cc(/C=N/Nc2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c2ccccc21
InChIInChI=1S/C25H32N6O5S/c1-37(32,33)31-19-20(22-4-2-3-5-23(22)31)18-26-28-24-16-21(30-9-13-35-14-10-30)17-25(27-24)36-15-8-29-6-11-34-12-7-29/h2-5,16-19H,6-15H2,1H3,(H,27,28)/b26-18+
InChIKeySLYNPAJEXPAEKZ-NLRVBDNBSA-N
MW528.64 g/mol
LogP1.84
Rot. Bonds9

About N-[(E)-(1-methylsulfonylindol-3-yl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine

N-[(E)-(1-methylsulfonylindol-3-yl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine (PubChem CID 59673876) has the molecular formula C25H32N6O5S and a molecular weight of 528.64 g/mol. Its IUPAC name is N-[(E)-(1-methylsulfonylindol-3-yl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-(1-methylsulfonylindol-3-yl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
PubChem CID59673876
Molecular FormulaC25H32N6O5S
Molecular Weight528.64 g/mol
Exact Mass528.22
IUPAC NameN-[(E)-(1-methylsulfonylindol-3-yl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
SMILESCS(=O)(=O)n1cc(/C=N/Nc2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c2ccccc21
InChIInChI=1S/C25H32N6O5S/c1-37(32,33)31-19-20(22-4-2-3-5-23(22)31)18-26-28-24-16-21(30-9-13-35-14-10-30)17-25(27-24)36-15-8-29-6-11-34-12-7-29/h2-5,16-19H,6-15H2,1H3,(H,27,28)/b26-18+
InChIKeySLYNPAJEXPAEKZ-NLRVBDNBSA-N
XLogP1.84
TPSA110.52 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.64
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 56940772
5-Isopropoxy-3-(2-(4-(methylsulfonyl)piperazin-1-yl)pyridin-4-yl)-1H-indazole
CID 90400868
4-[4-[6-methyl-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 54673405
4-[4-[4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridin-2-yl]morpholine
CID 66825582
4-[4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]morpholine
CID 66829077
4-[4-[4-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 66829105
3-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 66829175
(2S,6R)-4-[4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine
CID 68069807
4-[4-[4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridin-2-yl]morpholine
CID 68069809
CID 134807010
CID 134807010
6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 59673927
6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682658

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-methylsulfonylindol-3-yl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine?
The IUPAC name of N-[(E)-(1-methylsulfonylindol-3-yl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine (CID 59673876) is N-[(E)-(1-methylsulfonylindol-3-yl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine.
What is the SMILES notation for N-[(E)-(1-methylsulfonylindol-3-yl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine?
The canonical SMILES for N-[(E)-(1-methylsulfonylindol-3-yl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine is CS(=O)(=O)n1cc(/C=N/Nc2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c2ccccc21.
What is the InChIKey of N-[(E)-(1-methylsulfonylindol-3-yl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine?
The InChIKey is SLYNPAJEXPAEKZ-NLRVBDNBSA-N. The full InChI is InChI=1S/C25H32N6O5S/c1-37(32,33)31-19-20(22-4-2-3-5-23(22)31)18-26-28-24-16-21(30-9-13-35-14-10-30)17-25(27-24)36-15-8-29-6-11-34-12-7-29/h2-5,16-19H,6-15H2,1H3,(H,27,28)/b26-18+.
What are the key properties of N-[(E)-(1-methylsulfonylindol-3-yl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine?
N-[(E)-(1-methylsulfonylindol-3-yl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine has a molecular weight of 528.64 g/mol, XLogP of 1.84, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-methylsulfonylindol-3-yl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine is sourced from PubChem (CID 59673876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).