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

C21H20N6O2S — CID 24857300

IUPACN-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]pyridine-3-sulfonamide
SMILESCn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4cccnc4)cc3)cc(C3CC3)nc21
InChIInChI=1S/C21H20N6O2S/c1-27-21-19(20(22)25-27)17(11-18(24-21)14-4-5-14)13-6-8-15(9-7-13)26-30(28,29)16-3-2-10-23-12-16/h2-3,6-12,14,26H,4-5H2,1H3,(H2,22,25)
InChIKeyKKFMRKPMKYNJSM-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.29
Rot. Bonds5

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

N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]pyridine-3-sulfonamide (PubChem CID 24857300) has the molecular formula C21H20N6O2S and a molecular weight of 420.50 g/mol. Its IUPAC name is N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]pyridine-3-sulfonamide
PubChem CID24857300
Molecular FormulaC21H20N6O2S
Molecular Weight420.50 g/mol
Exact Mass420.14
IUPAC NameN-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]pyridine-3-sulfonamide
SMILESCn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4cccnc4)cc3)cc(C3CC3)nc21
InChIInChI=1S/C21H20N6O2S/c1-27-21-19(20(22)25-27)17(11-18(24-21)14-4-5-14)13-6-8-15(9-7-13)26-30(28,29)16-3-2-10-23-12-16/h2-3,6-12,14,26H,4-5H2,1H3,(H2,22,25)
InChIKeyKKFMRKPMKYNJSM-UHFFFAOYSA-N
XLogP3.29
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]pyridine-3-sulfonamide?
The IUPAC name of N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]pyridine-3-sulfonamide (CID 24857300) is N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]pyridine-3-sulfonamide is Cn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4cccnc4)cc3)cc(C3CC3)nc21.
What is the InChIKey of N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]pyridine-3-sulfonamide?
The InChIKey is KKFMRKPMKYNJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2S/c1-27-21-19(20(22)25-27)17(11-18(24-21)14-4-5-14)13-6-8-15(9-7-13)26-30(28,29)16-3-2-10-23-12-16/h2-3,6-12,14,26H,4-5H2,1H3,(H2,22,25).
What are the key properties of N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]pyridine-3-sulfonamide?
N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]pyridine-3-sulfonamide has a molecular weight of 420.50 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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]pyridine-3-sulfonamide is sourced from PubChem (CID 24857300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).