4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine

C22H25N5O3S — CID 24743799

IUPAC4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)nc3)c3ncccc23)CC1
InChIInChI=1S/C22H25N5O3S/c1-25-9-6-17(7-10-25)20-16-27(22-19(20)3-2-8-23-22)31(28,29)18-4-5-21(24-15-18)26-11-13-30-14-12-26/h2-6,8,15-16H,7,9-14H2,1H3
InChIKeyQYPXVHNPTBNXJA-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.22
Rot. Bonds4

About 4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine

4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine (PubChem CID 24743799) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine
PubChem CID24743799
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)nc3)c3ncccc23)CC1
InChIInChI=1S/C22H25N5O3S/c1-25-9-6-17(7-10-25)20-16-27(22-19(20)3-2-8-23-22)31(28,29)18-4-5-21(24-15-18)26-11-13-30-14-12-26/h2-6,8,15-16H,7,9-14H2,1H3
InChIKeyQYPXVHNPTBNXJA-UHFFFAOYSA-N
XLogP2.22
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfinylphenyl]morpholine
CID 69171863
5-fluoro-1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine
CID 159092849
formic acid;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-pyridin-3-ylsulfonylpyrrolo[3,2-b]pyridine
CID 159076413
1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 160886313
1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine
CID 25192019
1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole
CID 158351586
1-[[6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 133277072
3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine
CID 53161189
1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitroindole;1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 158111666
4-[5-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-2-pyridinyl]morpholine
CID 25191579
3-[1-(3-chloro-4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-ethylpyrrolo[2,3-b]pyridine
CID 71840233
5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole
CID 158837442

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine (CID 24743799) is 4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine is CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)nc3)c3ncccc23)CC1.
What is the InChIKey of 4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine?
The InChIKey is QYPXVHNPTBNXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-25-9-6-17(7-10-25)20-16-27(22-19(20)3-2-8-23-22)31(28,29)18-4-5-21(24-15-18)26-11-13-30-14-12-26/h2-6,8,15-16H,7,9-14H2,1H3.
What are the key properties of 4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine?
4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine has a molecular weight of 439.54 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine is sourced from PubChem (CID 24743799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).