N-[5-[4-(3-aminopyrrolidin-1-yl)quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C23H20F2N6O2S — CID 74396037

IUPACN-[5-[4-(3-aminopyrrolidin-1-yl)quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESNC1CCN(c2ncnc3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)C1
InChIInChI=1S/C23H20F2N6O2S/c24-16-2-4-22(20(25)9-16)34(32,33)30-18-7-15(10-27-11-18)14-1-3-21-19(8-14)23(29-13-28-21)31-6-5-17(26)12-31/h1-4,7-11,13,17,30H,5-6,12,26H2
InChIKeyDDUQKFKBTXBFBG-UHFFFAOYSA-N
MW482.52 g/mol
LogP3.31
Rot. Bonds5

About N-[5-[4-(3-aminopyrrolidin-1-yl)quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-[4-(3-aminopyrrolidin-1-yl)quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 74396037) has the molecular formula C23H20F2N6O2S and a molecular weight of 482.52 g/mol. Its IUPAC name is N-[5-[4-(3-aminopyrrolidin-1-yl)quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[4-(3-aminopyrrolidin-1-yl)quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID74396037
Molecular FormulaC23H20F2N6O2S
Molecular Weight482.52 g/mol
Exact Mass482.13
IUPAC NameN-[5-[4-(3-aminopyrrolidin-1-yl)quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESNC1CCN(c2ncnc3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)C1
InChIInChI=1S/C23H20F2N6O2S/c24-16-2-4-22(20(25)9-16)34(32,33)30-18-7-15(10-27-11-18)14-1-3-21-19(8-14)23(29-13-28-21)31-6-5-17(26)12-31/h1-4,7-11,13,17,30H,5-6,12,26H2
InChIKeyDDUQKFKBTXBFBG-UHFFFAOYSA-N
XLogP3.31
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[4-(3-aminopyrrolidin-1-yl)quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide with MolForge

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Related Compounds

N-[5-[4-[(3R)-3-aminopyrrolidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 25144672
2,4-difluoro-N-[5-[4-[4-(3-hydroxy-2-methylbutanoyl)piperazin-1-yl]quinazolin-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 175876087
2,4-difluoro-N-[1-methyl-2-oxo-5-(4-piperazin-1-ylquinazolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 171852873
N-[5-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide;hydrochloride
CID 90033860
2-chloro-4-fluoro-N-[5-[3-[3-(methylaminomethyl)cyclobutyl]-4-oxoquinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 155129840
5-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrazolidin-3-amine
CID 133429304
4-[4-[4-(2,4-difluorophenyl)piperidin-1-yl]quinazolin-6-yl]pyridin-2-amine
CID 170641482
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
CID 142582682
(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine
CID 66954813
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
2,4-difluoro-N-[2-methoxy-5-[4-[4-(5-oxooxolane-2-carbonyl)piperazin-1-yl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 70666718
2,4-difluoro-N-[5-(5-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide
CID 66693951

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(3-aminopyrrolidin-1-yl)quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-[4-(3-aminopyrrolidin-1-yl)quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 74396037) is N-[5-[4-(3-aminopyrrolidin-1-yl)quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[4-(3-aminopyrrolidin-1-yl)quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-[4-(3-aminopyrrolidin-1-yl)quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide is NC1CCN(c2ncnc3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)C1.
What is the InChIKey of N-[5-[4-(3-aminopyrrolidin-1-yl)quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is DDUQKFKBTXBFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O2S/c24-16-2-4-22(20(25)9-16)34(32,33)30-18-7-15(10-27-11-18)14-1-3-21-19(8-14)23(29-13-28-21)31-6-5-17(26)12-31/h1-4,7-11,13,17,30H,5-6,12,26H2.
What are the key properties of N-[5-[4-(3-aminopyrrolidin-1-yl)quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-[4-(3-aminopyrrolidin-1-yl)quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 482.52 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(3-aminopyrrolidin-1-yl)quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 74396037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).