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

C19H13F2N5O3S — CID 71727926

IUPACN-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cn1)c1cnc2[nH]ncc2c1
InChIInChI=1S/C19H13F2N5O3S/c20-13-4-14(21)6-17(5-13)30(28,29)16-2-1-15(22-10-16)9-24-19(27)12-3-11-8-25-26-18(11)23-7-12/h1-8,10H,9H2,(H,24,27)(H,23,25,26)
InChIKeyORZFIKBIPWUAQH-UHFFFAOYSA-N
MW429.41 g/mol
LogP2.39
Rot. Bonds5

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

N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 71727926) has the molecular formula C19H13F2N5O3S and a molecular weight of 429.41 g/mol. Its IUPAC name is N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID71727926
Molecular FormulaC19H13F2N5O3S
Molecular Weight429.41 g/mol
Exact Mass429.07
IUPAC NameN-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cn1)c1cnc2[nH]ncc2c1
InChIInChI=1S/C19H13F2N5O3S/c20-13-4-14(21)6-17(5-13)30(28,29)16-2-1-15(22-10-16)9-24-19(27)12-3-11-8-25-26-18(11)23-7-12/h1-8,10H,9H2,(H,24,27)(H,23,25,26)
InChIKeyORZFIKBIPWUAQH-UHFFFAOYSA-N
XLogP2.39
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(3-fluoro-5-methylphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 118193560
N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 118193542
N-[[4-(4-fluoro-3-methoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 66613856
N-[[4-(2-ethyl-5-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 138593064
N-[[4-(4-butylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 66613556
N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70984780
3-[4-(3-fluoro-5-methylphenyl)sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one
CID 159840003
N-[[4-(3-ethylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 90012417
N-[[4-[4-fluoro-3-(propan-2-ylcarbamoyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 90012284
N-[[4-(oxan-4-ylsulfamoyl)phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 71726997
N-[[4-(3-chloro-2-methylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 66613511
N-[[4-(2-fluoro-4-pyrazol-1-ylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 66613502

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 71727926) is N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cn1)c1cnc2[nH]ncc2c1.
What is the InChIKey of N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is ORZFIKBIPWUAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O3S/c20-13-4-14(21)6-17(5-13)30(28,29)16-2-1-15(22-10-16)9-24-19(27)12-3-11-8-25-26-18(11)23-7-12/h1-8,10H,9H2,(H,24,27)(H,23,25,26).
What are the key properties of N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 429.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 71727926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).