[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 6-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

C22H24N4O7S — CID 166324854

IUPAC[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 6-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCOc1ccc2cc(C(=O)OC(C)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)[nH]c2n1
InChIInChI=1S/C22H24N4O7S/c1-14(33-22(28)18-13-15-3-8-19(31-2)25-20(15)24-18)21(27)23-16-4-6-17(7-5-16)34(29,30)26-9-11-32-12-10-26/h3-8,13-14H,9-12H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyDGZUXHJHGXIROL-UHFFFAOYSA-N
MW488.52 g/mol
LogP1.78
Rot. Bonds7

About [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 6-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 6-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (PubChem CID 166324854) has the molecular formula C22H24N4O7S and a molecular weight of 488.52 g/mol. Its IUPAC name is [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 6-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Name[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 6-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
PubChem CID166324854
Molecular FormulaC22H24N4O7S
Molecular Weight488.52 g/mol
Exact Mass488.14
IUPAC Name[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 6-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCOc1ccc2cc(C(=O)OC(C)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)[nH]c2n1
InChIInChI=1S/C22H24N4O7S/c1-14(33-22(28)18-13-15-3-8-19(31-2)25-20(15)24-18)21(27)23-16-4-6-17(7-5-16)34(29,30)26-9-11-32-12-10-26/h3-8,13-14H,9-12H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyDGZUXHJHGXIROL-UHFFFAOYSA-N
XLogP1.78
TPSA139.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 6-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate with MolForge

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Related Compounds

[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 1H-pyrrole-2-carboxylate
CID 8548272
[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate
CID 41081164
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonylbenzoate
CID 2108270
[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 26002719
[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 22108903
[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 42925677
[(2S)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 4-phenoxybenzoate
CID 26919544
[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] pentanoate
CID 7790419
[(2R)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 1H-pyrrole-2-carboxylate
CID 8545677
[1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 3,5-dimethoxybenzoate
CID 42900794
2-(4-fluorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 3153549
[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (2E,4E)-hexa-2,4-dienoate
CID 8020994

Frequently Asked Questions

What is the IUPAC name of [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 6-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 6-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (CID 166324854) is [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 6-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 6-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 6-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate is COc1ccc2cc(C(=O)OC(C)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)[nH]c2n1.
What is the InChIKey of [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 6-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The InChIKey is DGZUXHJHGXIROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O7S/c1-14(33-22(28)18-13-15-3-8-19(31-2)25-20(15)24-18)21(27)23-16-4-6-17(7-5-16)34(29,30)26-9-11-32-12-10-26/h3-8,13-14H,9-12H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 6-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 6-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate has a molecular weight of 488.52 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 6-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 166324854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).