N-[5-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide;hydrochloride

C26H23Cl2F2N5O2S — CID 90033860

IUPACN-[5-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide;hydrochloride
SMILESCl.NC1CN(c2ccnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC12CC2
InChIInChI=1S/C26H22ClF2N5O2S.ClH/c27-25-21(33-37(35,36)23-4-2-17(28)11-19(23)29)10-16(12-32-25)15-1-3-20-18(9-15)22(5-8-31-20)34-13-24(30)26(14-34)6-7-26;/h1-5,8-12,24,33H,6-7,13-14,30H2;1H
InChIKeyWAOGBYPDFRQXES-UHFFFAOYSA-N
MW578.47 g/mol
LogP5.38
Rot. Bonds5

About N-[5-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide;hydrochloride

N-[5-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide;hydrochloride (PubChem CID 90033860) has the molecular formula C26H23Cl2F2N5O2S and a molecular weight of 578.47 g/mol. Its IUPAC name is N-[5-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide;hydrochloride
PubChem CID90033860
Molecular FormulaC26H23Cl2F2N5O2S
Molecular Weight578.47 g/mol
Exact Mass577.09
IUPAC NameN-[5-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide;hydrochloride
SMILESCl.NC1CN(c2ccnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC12CC2
InChIInChI=1S/C26H22ClF2N5O2S.ClH/c27-25-21(33-37(35,36)23-4-2-17(28)11-19(23)29)10-16(12-32-25)15-1-3-20-18(9-15)22(5-8-31-20)34-13-24(30)26(14-34)6-7-26;/h1-5,8-12,24,33H,6-7,13-14,30H2;1H
InChIKeyWAOGBYPDFRQXES-UHFFFAOYSA-N
XLogP5.38
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.47
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[5-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide;hydrochloride with MolForge

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Related Compounds

N-[5-(5-amino-4-methyl-3-oxo-[1,4]oxazino[3,2-c]quinolin-9-yl)-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 86294167
N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]pyridine-3-sulfonamide
CID 58229517
2,4-difluoro-N-[2-methoxy-5-[4-[4-(5-oxooxolane-2-carbonyl)piperazin-1-yl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 70666718
N-[2-chloro-5-[4-(2,2-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 44608755
N-[5-[4-[(3R)-3-aminopyrrolidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 25144672
N-[5-[4-(3-aminopyrrolidin-1-yl)quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 74396037
N-[2-chloro-5-[4-(4-methoxypiperidin-1-yl)quinolin-6-yl]-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 44610158
N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 78318658
N-[2-chloro-5-(5-pyridin-4-ylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 71556507
2,4-difluoro-N-[2-methoxy-5-[4-[(E)-4-oxo-4-pyrrolidin-1-ylbut-2-en-2-yl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 162669761
2,4-difluoro-N-[2-methoxy-5-[4-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 74539863
N-[5-[4-(5-tert-butylcyclooctyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 130291984

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide;hydrochloride?
The IUPAC name of 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) is N-[5-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[5-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[5-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide;hydrochloride is Cl.NC1CN(c2ccnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC12CC2.
What is the InChIKey of N-[5-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide;hydrochloride?
The InChIKey is WAOGBYPDFRQXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF2N5O2S.ClH/c27-25-21(33-37(35,36)23-4-2-17(28)11-19(23)29)10-16(12-32-25)15-1-3-20-18(9-15)22(5-8-31-20)34-13-24(30)26(14-34)6-7-26;/h1-5,8-12,24,33H,6-7,13-14,30H2;1H.
What are the key properties of N-[5-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide;hydrochloride?
N-[5-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide;hydrochloride has a molecular weight of 578.47 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 90033860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).