4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide

C16H14ClF2N5O2S — CID 134367091

IUPAC4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide
SMILESNc1n[nH]c2ccc(-c3ccc(S(=O)(=O)NC4CC(F)(F)C4)cc3Cl)nc12
InChIInChI=1S/C16H14ClF2N5O2S/c17-11-5-9(27(25,26)24-8-6-16(18,19)7-8)1-2-10(11)12-3-4-13-14(21-12)15(20)23-22-13/h1-5,8,24H,6-7H2,(H3,20,22,23)
InChIKeyILRNFGBPAFLAQA-UHFFFAOYSA-N
MW413.84 g/mol
LogP2.94
Rot. Bonds4

About 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide

4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide (PubChem CID 134367091) has the molecular formula C16H14ClF2N5O2S and a molecular weight of 413.84 g/mol. Its IUPAC name is 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide
PubChem CID134367091
Molecular FormulaC16H14ClF2N5O2S
Molecular Weight413.84 g/mol
Exact Mass413.05
IUPAC Name4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide
SMILESNc1n[nH]c2ccc(-c3ccc(S(=O)(=O)NC4CC(F)(F)C4)cc3Cl)nc12
InChIInChI=1S/C16H14ClF2N5O2S/c17-11-5-9(27(25,26)24-8-6-16(18,19)7-8)1-2-10(11)12-3-4-13-14(21-12)15(20)23-22-13/h1-5,8,24H,6-7H2,(H3,20,22,23)
InChIKeyILRNFGBPAFLAQA-UHFFFAOYSA-N
XLogP2.94
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(1,1-dioxothietan-3-yl)benzenesulfonamide
CID 134367193
4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3-hydroxycyclopentyl)benzenesulfonamide
CID 134367259
3-chloro-4-(6-cyano-5-fluoro-2-pyridinyl)-N-(3,3-difluorocyclobutyl)benzenesulfonamide
CID 134367250
4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-ethyl-3-hydroxycyclobutyl)-3-methylbenzenesulfonamide
CID 134362264
5-[4-(azetidin-1-yl-imino-methylidene-λ6-sulfanyl)-2-methylphenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 163943791
N-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide
CID 171389649
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 115330142
4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxycyclohexyl)-3-methylbenzenesulfonamide
CID 134362071
4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
CID 113288425
[1-[4-(3-amino-4-methyl-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol
CID 134362223
6-chloro-N-(3,3-difluorocyclobutyl)-1H-indole-3-sulfonamide
CID 167817801

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide?
The IUPAC name of 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide (CID 134367091) is 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide?
The canonical SMILES for 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide is Nc1n[nH]c2ccc(-c3ccc(S(=O)(=O)NC4CC(F)(F)C4)cc3Cl)nc12.
What is the InChIKey of 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide?
The InChIKey is ILRNFGBPAFLAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N5O2S/c17-11-5-9(27(25,26)24-8-6-16(18,19)7-8)1-2-10(11)12-3-4-13-14(21-12)15(20)23-22-13/h1-5,8,24H,6-7H2,(H3,20,22,23).
What are the key properties of 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide?
4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide has a molecular weight of 413.84 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide is sourced from PubChem (CID 134367091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).