N-hydroxy-1-methyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxamide

C26H22N6O5S — CID 10208692

IUPACN-hydroxy-1-methyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCN(c1c(C(=O)NO)cnc2c1c(-c1ccccc1)nn2C)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C26H22N6O5S/c1-31-25-22(23(29-31)17-6-4-3-5-7-17)24(21(16-28-25)26(33)30-34)32(2)38(35,36)20-10-8-18(9-11-20)37-19-12-14-27-15-13-19/h3-16,34H,1-2H3,(H,30,33)
InChIKeyIKBWDSQWFGCFMH-UHFFFAOYSA-N
MW530.57 g/mol
LogP3.77
Rot. Bonds7

About N-hydroxy-1-methyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxamide

N-hydroxy-1-methyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 10208692) has the molecular formula C26H22N6O5S and a molecular weight of 530.57 g/mol. Its IUPAC name is N-hydroxy-1-methyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-methyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID10208692
Molecular FormulaC26H22N6O5S
Molecular Weight530.57 g/mol
Exact Mass530.14
IUPAC NameN-hydroxy-1-methyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCN(c1c(C(=O)NO)cnc2c1c(-c1ccccc1)nn2C)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C26H22N6O5S/c1-31-25-22(23(29-31)17-6-4-3-5-7-17)24(21(16-28-25)26(33)30-34)32(2)38(35,36)20-10-8-18(9-11-20)37-19-12-14-27-15-13-19/h3-16,34H,1-2H3,(H,30,33)
InChIKeyIKBWDSQWFGCFMH-UHFFFAOYSA-N
XLogP3.77
TPSA139.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.57
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-methyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 18549747
4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 18549761
2,3-dimethyl-7-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]imidazo[4,5-b]pyridine-6-carboxylic acid
CID 18549718
N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10206168
4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethylamino]-N-hydroxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 139960116
N-hydroxy-4-[(4-methoxyphenyl)sulfonylmethyl-thiophen-3-ylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10277921
N-hydroxy-1-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10120813
4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10186703
N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10206977
3-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 18549774
4-[ethyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-7-methyl-1,8-naphthyridine-3-carboxylic acid
CID 70193048
N-methyl-4-phenoxy-N-phenylbenzenesulfonamide
CID 802691

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-methyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-hydroxy-1-methyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 10208692) is N-hydroxy-1-methyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-hydroxy-1-methyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-hydroxy-1-methyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxamide is CN(c1c(C(=O)NO)cnc2c1c(-c1ccccc1)nn2C)S(=O)(=O)c1ccc(Oc2ccncc2)cc1.
What is the InChIKey of N-hydroxy-1-methyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is IKBWDSQWFGCFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O5S/c1-31-25-22(23(29-31)17-6-4-3-5-7-17)24(21(16-28-25)26(33)30-34)32(2)38(35,36)20-10-8-18(9-11-20)37-19-12-14-27-15-13-19/h3-16,34H,1-2H3,(H,30,33).
What are the key properties of N-hydroxy-1-methyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-hydroxy-1-methyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 530.57 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-methyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 10208692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).