4-(3-aminopyrrolidin-1-yl)sulfonylbenzamide;imidazo[1,2-a]pyrimidine-6-carboxylic acid

C18H20N6O5S — CID 155093969

IUPAC4-(3-aminopyrrolidin-1-yl)sulfonylbenzamide;imidazo[1,2-a]pyrimidine-6-carboxylic acid
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCC(N)C2)cc1.O=C(O)c1cnc2nccn2c1
InChIInChI=1S/C11H15N3O3S.C7H5N3O2/c12-9-5-6-14(7-9)18(16,17)10-3-1-8(2-4-10)11(13)15;11-6(12)5-3-9-7-8-1-2-10(7)4-5/h1-4,9H,5-7,12H2,(H2,13,15);1-4H,(H,11,12)
InChIKeyCMGWTGNGNJVELY-UHFFFAOYSA-N
MW432.46 g/mol
LogP-0.07
Rot. Bonds4

About 4-(3-aminopyrrolidin-1-yl)sulfonylbenzamide;imidazo[1,2-a]pyrimidine-6-carboxylic acid

4-(3-aminopyrrolidin-1-yl)sulfonylbenzamide;imidazo[1,2-a]pyrimidine-6-carboxylic acid (PubChem CID 155093969) has the molecular formula C18H20N6O5S and a molecular weight of 432.46 g/mol. Its IUPAC name is 4-(3-aminopyrrolidin-1-yl)sulfonylbenzamide;imidazo[1,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(3-aminopyrrolidin-1-yl)sulfonylbenzamide;imidazo[1,2-a]pyrimidine-6-carboxylic acid
PubChem CID155093969
Molecular FormulaC18H20N6O5S
Molecular Weight432.46 g/mol
Exact Mass432.12
IUPAC Name4-(3-aminopyrrolidin-1-yl)sulfonylbenzamide;imidazo[1,2-a]pyrimidine-6-carboxylic acid
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCC(N)C2)cc1.O=C(O)c1cnc2nccn2c1
InChIInChI=1S/C11H15N3O3S.C7H5N3O2/c12-9-5-6-14(7-9)18(16,17)10-3-1-8(2-4-10)11(13)15;11-6(12)5-3-9-7-8-1-2-10(7)4-5/h1-4,9H,5-7,12H2,(H2,13,15);1-4H,(H,11,12)
InChIKeyCMGWTGNGNJVELY-UHFFFAOYSA-N
XLogP-0.07
TPSA173.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(3R)-3-aminopyrrolidin-1-yl]sulfonylbenzamide
CID 119962387
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide
CID 75431046
4-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)benzamide
CID 115314215
[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]-thiomorpholin-4-ylmethanone
CID 70766156
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide
CID 43589644
4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 97127601
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 97141358
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide
CID 62357804
(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119962668
(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 94340425

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrrolidin-1-yl)sulfonylbenzamide;imidazo[1,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(3-aminopyrrolidin-1-yl)sulfonylbenzamide;imidazo[1,2-a]pyrimidine-6-carboxylic acid (CID 155093969) is 4-(3-aminopyrrolidin-1-yl)sulfonylbenzamide;imidazo[1,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(3-aminopyrrolidin-1-yl)sulfonylbenzamide;imidazo[1,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(3-aminopyrrolidin-1-yl)sulfonylbenzamide;imidazo[1,2-a]pyrimidine-6-carboxylic acid is NC(=O)c1ccc(S(=O)(=O)N2CCC(N)C2)cc1.O=C(O)c1cnc2nccn2c1.
What is the InChIKey of 4-(3-aminopyrrolidin-1-yl)sulfonylbenzamide;imidazo[1,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is CMGWTGNGNJVELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S.C7H5N3O2/c12-9-5-6-14(7-9)18(16,17)10-3-1-8(2-4-10)11(13)15;11-6(12)5-3-9-7-8-1-2-10(7)4-5/h1-4,9H,5-7,12H2,(H2,13,15);1-4H,(H,11,12).
What are the key properties of 4-(3-aminopyrrolidin-1-yl)sulfonylbenzamide;imidazo[1,2-a]pyrimidine-6-carboxylic acid?
4-(3-aminopyrrolidin-1-yl)sulfonylbenzamide;imidazo[1,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 432.46 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrrolidin-1-yl)sulfonylbenzamide;imidazo[1,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 155093969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).