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

C20H16FN5O3S — CID 118193560

IUPACN-[[5-(3-fluoro-5-methylphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1cc(F)cc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)nc2)c1
InChIInChI=1S/C20H16FN5O3S/c1-12-4-15(21)7-18(5-12)30(28,29)17-3-2-16(22-11-17)10-24-20(27)14-6-13-9-25-26-19(13)23-8-14/h2-9,11H,10H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyJPOKCNNUUJQCGR-UHFFFAOYSA-N
MW425.45 g/mol
LogP2.56
Rot. Bonds5

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

N-[[5-(3-fluoro-5-methylphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 118193560) has the molecular formula C20H16FN5O3S and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[[5-(3-fluoro-5-methylphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(3-fluoro-5-methylphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID118193560
Molecular FormulaC20H16FN5O3S
Molecular Weight425.45 g/mol
Exact Mass425.10
IUPAC NameN-[[5-(3-fluoro-5-methylphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1cc(F)cc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)nc2)c1
InChIInChI=1S/C20H16FN5O3S/c1-12-4-15(21)7-18(5-12)30(28,29)17-3-2-16(22-11-17)10-24-20(27)14-6-13-9-25-26-19(13)23-8-14/h2-9,11H,10H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyJPOKCNNUUJQCGR-UHFFFAOYSA-N
XLogP2.56
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluoro-5-methylphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[5-(3-fluoro-5-methylphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 118193560) is N-[[5-(3-fluoro-5-methylphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[5-(3-fluoro-5-methylphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[5-(3-fluoro-5-methylphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1cc(F)cc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)nc2)c1.
What is the InChIKey of N-[[5-(3-fluoro-5-methylphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is JPOKCNNUUJQCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3S/c1-12-4-15(21)7-18(5-12)30(28,29)17-3-2-16(22-11-17)10-24-20(27)14-6-13-9-25-26-19(13)23-8-14/h2-9,11H,10H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of N-[[5-(3-fluoro-5-methylphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[[5-(3-fluoro-5-methylphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluoro-5-methylphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 118193560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).