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

C24H25N5O2S — CID 24857391

IUPACN-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide
SMILESCCCn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3CC3)nc21
InChIInChI=1S/C24H25N5O2S/c1-2-14-29-24-22(23(25)27-29)20(15-21(26-24)17-8-9-17)16-10-12-18(13-11-16)28-32(30,31)19-6-4-3-5-7-19/h3-7,10-13,15,17,28H,2,8-9,14H2,1H3,(H2,25,27)
InChIKeyZUTZXFCAJSOLTB-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.77
Rot. Bonds7

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

N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide (PubChem CID 24857391) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide
PubChem CID24857391
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide
SMILESCCCn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3CC3)nc21
InChIInChI=1S/C24H25N5O2S/c1-2-14-29-24-22(23(25)27-29)20(15-21(26-24)17-8-9-17)16-10-12-18(13-11-16)28-32(30,31)19-6-4-3-5-7-19/h3-7,10-13,15,17,28H,2,8-9,14H2,1H3,(H2,25,27)
InChIKeyZUTZXFCAJSOLTB-UHFFFAOYSA-N
XLogP4.77
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.77
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-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide (CID 24857391) is N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide is CCCn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3CC3)nc21.
What is the InChIKey of N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide?
The InChIKey is ZUTZXFCAJSOLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-2-14-29-24-22(23(25)27-29)20(15-21(26-24)17-8-9-17)16-10-12-18(13-11-16)28-32(30,31)19-6-4-3-5-7-19/h3-7,10-13,15,17,28H,2,8-9,14H2,1H3,(H2,25,27).
What are the key properties of N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide?
N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide has a molecular weight of 447.56 g/mol, XLogP of 4.77, 7 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-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 24857391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).