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

C20H16FN5O4S — CID 118160952

IUPACN-[[5-(3-fluoro-5-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1cc(F)cc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)nc2)c1
InChIInChI=1S/C20H16FN5O4S/c1-30-16-5-14(21)6-18(7-16)31(28,29)17-3-2-15(22-11-17)10-24-20(27)13-4-12-9-25-26-19(12)23-8-13/h2-9,11H,10H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyHODBGTNXZDNSDJ-UHFFFAOYSA-N
MW441.44 g/mol
LogP2.26
Rot. Bonds6

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

N-[[5-(3-fluoro-5-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 118160952) has the molecular formula C20H16FN5O4S and a molecular weight of 441.44 g/mol. Its IUPAC name is N-[[5-(3-fluoro-5-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(3-fluoro-5-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID118160952
Molecular FormulaC20H16FN5O4S
Molecular Weight441.44 g/mol
Exact Mass441.09
IUPAC NameN-[[5-(3-fluoro-5-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1cc(F)cc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)nc2)c1
InChIInChI=1S/C20H16FN5O4S/c1-30-16-5-14(21)6-18(7-16)31(28,29)17-3-2-15(22-11-17)10-24-20(27)13-4-12-9-25-26-19(12)23-8-13/h2-9,11H,10H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyHODBGTNXZDNSDJ-UHFFFAOYSA-N
XLogP2.26
TPSA126.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluoro-5-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[5-(3-fluoro-5-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 118160952) is N-[[5-(3-fluoro-5-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[5-(3-fluoro-5-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[5-(3-fluoro-5-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is COc1cc(F)cc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)nc2)c1.
What is the InChIKey of N-[[5-(3-fluoro-5-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is HODBGTNXZDNSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O4S/c1-30-16-5-14(21)6-18(7-16)31(28,29)17-3-2-15(22-11-17)10-24-20(27)13-4-12-9-25-26-19(12)23-8-13/h2-9,11H,10H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of N-[[5-(3-fluoro-5-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[[5-(3-fluoro-5-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 441.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluoro-5-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 118160952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).