N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-phenylmethanesulfonamide

C14H14N4O2S — CID 75442539

IUPACN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-phenylmethanesulfonamide
SMILESCc1[nH]nc2ncc(NS(=O)(=O)Cc3ccccc3)cc12
InChIInChI=1S/C14H14N4O2S/c1-10-13-7-12(8-15-14(13)17-16-10)18-21(19,20)9-11-5-3-2-4-6-11/h2-8,18H,9H2,1H3,(H,15,16,17)
InChIKeyLOMVFDRKQLTUGZ-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.21
Rot. Bonds4

About N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-phenylmethanesulfonamide

N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-phenylmethanesulfonamide (PubChem CID 75442539) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-phenylmethanesulfonamide
PubChem CID75442539
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-phenylmethanesulfonamide
SMILESCc1[nH]nc2ncc(NS(=O)(=O)Cc3ccccc3)cc12
InChIInChI=1S/C14H14N4O2S/c1-10-13-7-12(8-15-14(13)17-16-10)18-21(19,20)9-11-5-3-2-4-6-11/h2-8,18H,9H2,1H3,(H,15,16,17)
InChIKeyLOMVFDRKQLTUGZ-UHFFFAOYSA-N
XLogP2.21
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-phenylmethanesulfonamide (CID 75442539) is N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-phenylmethanesulfonamide is Cc1[nH]nc2ncc(NS(=O)(=O)Cc3ccccc3)cc12.
What is the InChIKey of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-phenylmethanesulfonamide?
The InChIKey is LOMVFDRKQLTUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-10-13-7-12(8-15-14(13)17-16-10)18-21(19,20)9-11-5-3-2-4-6-11/h2-8,18H,9H2,1H3,(H,15,16,17).
What are the key properties of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-phenylmethanesulfonamide?
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-phenylmethanesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 75442539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).