N-(2,6-dibromo-4-fluorophenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide

C19H13Br2FN4O2 — CID 19482057

IUPACN-(2,6-dibromo-4-fluorophenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCc1nn(CC(=O)Nc2c(Br)cc(F)cc2Br)c2nccc(-c3ccco3)c12
InChIInChI=1S/C19H13Br2FN4O2/c1-10-17-12(15-3-2-6-28-15)4-5-23-19(17)26(25-10)9-16(27)24-18-13(20)7-11(22)8-14(18)21/h2-8H,9H2,1H3,(H,24,27)
InChIKeyKSPPLOYYMLBIIM-UHFFFAOYSA-N
MW508.15 g/mol
LogP5.30
Rot. Bonds4

About N-(2,6-dibromo-4-fluorophenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide

N-(2,6-dibromo-4-fluorophenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide (PubChem CID 19482057) has the molecular formula C19H13Br2FN4O2 and a molecular weight of 508.15 g/mol. Its IUPAC name is N-(2,6-dibromo-4-fluorophenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-fluorophenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
PubChem CID19482057
Molecular FormulaC19H13Br2FN4O2
Molecular Weight508.15 g/mol
Exact Mass505.94
IUPAC NameN-(2,6-dibromo-4-fluorophenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCc1nn(CC(=O)Nc2c(Br)cc(F)cc2Br)c2nccc(-c3ccco3)c12
InChIInChI=1S/C19H13Br2FN4O2/c1-10-17-12(15-3-2-6-28-15)4-5-23-19(17)26(25-10)9-16(27)24-18-13(20)7-11(22)8-14(18)21/h2-8H,9H2,1H3,(H,24,27)
InChIKeyKSPPLOYYMLBIIM-UHFFFAOYSA-N
XLogP5.30
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.15
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482009
N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482254
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482262
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482027
N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482110
2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 19482077
2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 19482266
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482172
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482021
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482218
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482227
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482232

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-fluorophenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N-(2,6-dibromo-4-fluorophenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide (CID 19482057) is N-(2,6-dibromo-4-fluorophenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dibromo-4-fluorophenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dibromo-4-fluorophenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide is Cc1nn(CC(=O)Nc2c(Br)cc(F)cc2Br)c2nccc(-c3ccco3)c12.
What is the InChIKey of N-(2,6-dibromo-4-fluorophenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide?
The InChIKey is KSPPLOYYMLBIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Br2FN4O2/c1-10-17-12(15-3-2-6-28-15)4-5-23-19(17)26(25-10)9-16(27)24-18-13(20)7-11(22)8-14(18)21/h2-8H,9H2,1H3,(H,24,27).
What are the key properties of N-(2,6-dibromo-4-fluorophenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide?
N-(2,6-dibromo-4-fluorophenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide has a molecular weight of 508.15 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-fluorophenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19482057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).