N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-fluorobenzenesulfonamide

C22H20FN5O2S — CID 24857301

IUPACN-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-fluorobenzenesulfonamide
SMILESCn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)cc(C3CC3)nc21
InChIInChI=1S/C22H20FN5O2S/c1-28-22-20(21(24)26-28)18(12-19(25-22)14-5-6-14)13-7-9-16(10-8-13)27-31(29,30)17-4-2-3-15(23)11-17/h2-4,7-12,14,27H,5-6H2,1H3,(H2,24,26)
InChIKeyXBPQJZHTAKYXAH-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.03
Rot. Bonds5

About N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-fluorobenzenesulfonamide

N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-fluorobenzenesulfonamide (PubChem CID 24857301) has the molecular formula C22H20FN5O2S and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-fluorobenzenesulfonamide
PubChem CID24857301
Molecular FormulaC22H20FN5O2S
Molecular Weight437.50 g/mol
Exact Mass437.13
IUPAC NameN-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-fluorobenzenesulfonamide
SMILESCn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)cc(C3CC3)nc21
InChIInChI=1S/C22H20FN5O2S/c1-28-22-20(21(24)26-28)18(12-19(25-22)14-5-6-14)13-7-9-16(10-8-13)27-31(29,30)17-4-2-3-15(23)11-17/h2-4,7-12,14,27H,5-6H2,1H3,(H2,24,26)
InChIKeyXBPQJZHTAKYXAH-UHFFFAOYSA-N
XLogP4.03
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-fluorobenzenesulfonamide (CID 24857301) is N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-fluorobenzenesulfonamide is Cn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)cc(C3CC3)nc21.
What is the InChIKey of N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-fluorobenzenesulfonamide?
The InChIKey is XBPQJZHTAKYXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2S/c1-28-22-20(21(24)26-28)18(12-19(25-22)14-5-6-14)13-7-9-16(10-8-13)27-31(29,30)17-4-2-3-15(23)11-17/h2-4,7-12,14,27H,5-6H2,1H3,(H2,24,26).
What are the key properties of N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-fluorobenzenesulfonamide?
N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-fluorobenzenesulfonamide has a molecular weight of 437.50 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 24857301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).