N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyridine-4-carboxamide

C24H24N8O4S — CID 157362596

IUPACN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyridine-4-carboxamide
SMILESCc1ncnc2c1cnn2-c1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1
InChIInChI=1S/C24H24N8O4S/c1-14-17-10-29-32(22(17)28-13-27-14)19-9-15(7-8-26-19)23(33)30-24(2,3)12-36-18-6-4-5-16-11-37(34,35)31-21(25)20(16)18/h4-10,13H,11-12H2,1-3H3,(H2,25,31)(H,30,33)
InChIKeyBIURFXMKJCVSPK-UHFFFAOYSA-N
MW520.58 g/mol
LogP1.66
Rot. Bonds6

About N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyridine-4-carboxamide

N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyridine-4-carboxamide (PubChem CID 157362596) has the molecular formula C24H24N8O4S and a molecular weight of 520.58 g/mol. Its IUPAC name is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyridine-4-carboxamide
PubChem CID157362596
Molecular FormulaC24H24N8O4S
Molecular Weight520.58 g/mol
Exact Mass520.16
IUPAC NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyridine-4-carboxamide
SMILESCc1ncnc2c1cnn2-c1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1
InChIInChI=1S/C24H24N8O4S/c1-14-17-10-29-32(22(17)28-13-27-14)19-9-15(7-8-26-19)23(33)30-24(2,3)12-36-18-6-4-5-16-11-37(34,35)31-21(25)20(16)18/h4-10,13H,11-12H2,1-3H3,(H2,25,31)(H,30,33)
InChIKeyBIURFXMKJCVSPK-UHFFFAOYSA-N
XLogP1.66
TPSA167.34 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.58
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyridine-4-carboxamide with MolForge

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Related Compounds

N-[5-[4-[(3R)-1-benzoylpyrrolidin-3-yl]oxy-1-methylpyrazolo[5,4-b]pyridin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 145969794
N-[2-methoxy-5-[1-methyl-4-[[(3R)-1-(pyridazine-3-carbonyl)piperidin-3-yl]methoxy]pyrazolo[5,4-b]pyridin-6-yl]-3-pyridinyl]methanesulfonamide
CID 145985060
6-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 9394148
N-[1-(2-methoxyphenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 17545370
1-(1,1-dioxidotetrahydrothiophen-3-yl)-6-(3-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44048190
[6-(2-Methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 134789967
6-(2-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134790414
N-[(3-methoxyphenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134798704
N-(2-methoxyethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134801177
6-(2-methoxyphenyl)-1-methyl-N-(oxolan-3-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134801256
[6-(3-Methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 134801381
6-(2-methoxyphenyl)-1-methyl-N-(oxan-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134801864

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyridine-4-carboxamide (CID 157362596) is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyridine-4-carboxamide is Cc1ncnc2c1cnn2-c1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.
What is the InChIKey of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyridine-4-carboxamide?
The InChIKey is BIURFXMKJCVSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O4S/c1-14-17-10-29-32(22(17)28-13-27-14)19-9-15(7-8-26-19)23(33)30-24(2,3)12-36-18-6-4-5-16-11-37(34,35)31-21(25)20(16)18/h4-10,13H,11-12H2,1-3H3,(H2,25,31)(H,30,33).
What are the key properties of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyridine-4-carboxamide?
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyridine-4-carboxamide has a molecular weight of 520.58 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 157362596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).