N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

C20H17N5O4S — CID 118193530

IUPACN-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1cccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)nc2)c1
InChIInChI=1S/C20H17N5O4S/c1-29-16-3-2-4-17(8-16)30(27,28)18-6-5-15(21-12-18)11-23-20(26)14-7-13-10-24-25-19(13)22-9-14/h2-10,12H,11H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyOMDAJKSYBCDMRW-UHFFFAOYSA-N
MW423.45 g/mol
LogP2.12
Rot. Bonds6

About N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 118193530) has the molecular formula C20H17N5O4S and a molecular weight of 423.45 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID118193530
Molecular FormulaC20H17N5O4S
Molecular Weight423.45 g/mol
Exact Mass423.10
IUPAC NameN-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1cccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)nc2)c1
InChIInChI=1S/C20H17N5O4S/c1-29-16-3-2-4-17(8-16)30(27,28)18-6-5-15(21-12-18)11-23-20(26)14-7-13-10-24-25-19(13)22-9-14/h2-10,12H,11H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyOMDAJKSYBCDMRW-UHFFFAOYSA-N
XLogP2.12
TPSA126.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 118193530) is N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is COc1cccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)nc2)c1.
What is the InChIKey of N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is OMDAJKSYBCDMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4S/c1-29-16-3-2-4-17(8-16)30(27,28)18-6-5-15(21-12-18)11-23-20(26)14-7-13-10-24-25-19(13)22-9-14/h2-10,12H,11H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 118193530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).