N-(4-bromo-2-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

C18H19BrN4O — CID 17489482

IUPACN-(4-bromo-2-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Br)cc2C)c2cnn(C(C)C)c2n1
InChIInChI=1S/C18H19BrN4O/c1-10(2)23-17-15(9-20-23)14(8-12(4)21-17)18(24)22-16-6-5-13(19)7-11(16)3/h5-10H,1-4H3,(H,22,24)
InChIKeyKAJDIESUCCHMFI-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.64
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

N-(4-bromo-2-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 17489482) has the molecular formula C18H19BrN4O and a molecular weight of 387.28 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID17489482
Molecular FormulaC18H19BrN4O
Molecular Weight387.28 g/mol
Exact Mass386.07
IUPAC NameN-(4-bromo-2-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Br)cc2C)c2cnn(C(C)C)c2n1
InChIInChI=1S/C18H19BrN4O/c1-10(2)23-17-15(9-20-23)14(8-12(4)21-17)18(24)22-16-6-5-13(19)7-11(16)3/h5-10H,1-4H3,(H,22,24)
InChIKeyKAJDIESUCCHMFI-UHFFFAOYSA-N
XLogP4.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42152657
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CID 30426277
N-(5-bromo-2-methylphenyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55804253
6-methyl-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42023810
N-[2-(ethoxymethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 86821819
3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid
CID 120517900
N-[2-methoxy-5-(methylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 78887349
6-methyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[3,4-b]pyridine-4-carboxamide
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N-(4-bromo-2-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28780531
6-methyl-1-propan-2-yl-N-quinolin-6-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 78887694
N-[4-hydroxy-3-(trifluoromethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
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N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 17489482) is N-(4-bromo-2-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(Br)cc2C)c2cnn(C(C)C)c2n1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is KAJDIESUCCHMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O/c1-10(2)23-17-15(9-20-23)14(8-12(4)21-17)18(24)22-16-6-5-13(19)7-11(16)3/h5-10H,1-4H3,(H,22,24).
What are the key properties of N-(4-bromo-2-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(4-bromo-2-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 387.28 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 17489482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).