[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]-morpholin-4-ylmethanone

C18H19N3O4S — CID 167855801

IUPAC[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(S(=O)(=O)N2Cc3cccnc3C2)cc1)N1CCOCC1
InChIInChI=1S/C18H19N3O4S/c22-18(20-8-10-25-11-9-20)14-3-5-16(6-4-14)26(23,24)21-12-15-2-1-7-19-17(15)13-21/h1-7H,8-13H2
InChIKeyDWQFGMJGUJOBNW-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.26
Rot. Bonds3

About [4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]-morpholin-4-ylmethanone

[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]-morpholin-4-ylmethanone (PubChem CID 167855801) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is [4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]-morpholin-4-ylmethanone
PubChem CID167855801
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(S(=O)(=O)N2Cc3cccnc3C2)cc1)N1CCOCC1
InChIInChI=1S/C18H19N3O4S/c22-18(20-8-10-25-11-9-20)14-3-5-16(6-4-14)26(23,24)21-12-15-2-1-7-19-17(15)13-21/h1-7H,8-13H2
InChIKeyDWQFGMJGUJOBNW-UHFFFAOYSA-N
XLogP1.26
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzenesulfonamide
CID 121191276
6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 121191252
1-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]ethanone
CID 121191228
4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287
[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone
CID 40791712
[4-(1,4-diazepan-1-ylsulfonyl)phenyl]-morpholin-4-ylmethanone;hydrochloride
CID 119963161
[4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 70703458
4-(4-morpholin-4-ylsulfonylbenzoyl)-1-pyridin-3-ylpiperazin-2-one
CID 126855625
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 799715
6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine
CID 61045177
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468

Frequently Asked Questions

What is the IUPAC name of [4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]-morpholin-4-ylmethanone (CID 167855801) is [4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(S(=O)(=O)N2Cc3cccnc3C2)cc1)N1CCOCC1.
What is the InChIKey of [4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is DWQFGMJGUJOBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c22-18(20-8-10-25-11-9-20)14-3-5-16(6-4-14)26(23,24)21-12-15-2-1-7-19-17(15)13-21/h1-7H,8-13H2.
What are the key properties of [4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]-morpholin-4-ylmethanone?
[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 373.43 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 167855801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).