1-butyl-N-(2,6-dibromo-4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C19H19Br2FN4O — CID 19589113

IUPAC1-butyl-N-(2,6-dibromo-4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCCCn1nc(C)c2c(C(=O)Nc3c(Br)cc(F)cc3Br)cc(C)nc21
InChIInChI=1S/C19H19Br2FN4O/c1-4-5-6-26-18-16(11(3)25-26)13(7-10(2)23-18)19(27)24-17-14(20)8-12(22)9-15(17)21/h7-9H,4-6H2,1-3H3,(H,24,27)
InChIKeyBWJXKQRLUQTMOS-UHFFFAOYSA-N
MW498.19 g/mol
LogP5.76
Rot. Bonds5

About 1-butyl-N-(2,6-dibromo-4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

1-butyl-N-(2,6-dibromo-4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 19589113) has the molecular formula C19H19Br2FN4O and a molecular weight of 498.19 g/mol. Its IUPAC name is 1-butyl-N-(2,6-dibromo-4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2,6-dibromo-4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID19589113
Molecular FormulaC19H19Br2FN4O
Molecular Weight498.19 g/mol
Exact Mass495.99
IUPAC Name1-butyl-N-(2,6-dibromo-4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCCCn1nc(C)c2c(C(=O)Nc3c(Br)cc(F)cc3Br)cc(C)nc21
InChIInChI=1S/C19H19Br2FN4O/c1-4-5-6-26-18-16(11(3)25-26)13(7-10(2)23-18)19(27)24-17-14(20)8-12(22)9-15(17)21/h7-9H,4-6H2,1-3H3,(H,24,27)
InChIKeyBWJXKQRLUQTMOS-UHFFFAOYSA-N
XLogP5.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.19
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-5-methylpyrazol-3-yl)-1-butyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19590060
1-butyl-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19590216
1-butyl-N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19590099
1-ethyl-3,6-dimethyl-N-propylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35532740
1-butyl-4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridine
CID 19589925
N-(2,6-dibromo-4-fluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 35335727
N-(1-butyl-5-methylpyrazol-3-yl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821397
1-benzyl-N-(4-bromo-3-methylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823505
N-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16609443
1-ethyl-N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119055927
1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822932
N-(3,5-dichloro-2-pyridinyl)-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35533377

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2,6-dibromo-4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-butyl-N-(2,6-dibromo-4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 19589113) is 1-butyl-N-(2,6-dibromo-4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-butyl-N-(2,6-dibromo-4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-butyl-N-(2,6-dibromo-4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is CCCCn1nc(C)c2c(C(=O)Nc3c(Br)cc(F)cc3Br)cc(C)nc21.
What is the InChIKey of 1-butyl-N-(2,6-dibromo-4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is BWJXKQRLUQTMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Br2FN4O/c1-4-5-6-26-18-16(11(3)25-26)13(7-10(2)23-18)19(27)24-17-14(20)8-12(22)9-15(17)21/h7-9H,4-6H2,1-3H3,(H,24,27).
What are the key properties of 1-butyl-N-(2,6-dibromo-4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
1-butyl-N-(2,6-dibromo-4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 498.19 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2,6-dibromo-4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 19589113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).