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

C19H21N5O2 — CID 42152657

IUPACN-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1
InChIInChI=1S/C19H21N5O2/c1-11(2)24-18-17(10-20-24)16(9-12(3)21-18)19(26)23-15-7-5-14(6-8-15)22-13(4)25/h5-11H,1-4H3,(H,22,25)(H,23,26)
InChIKeyPJROOKKCCNXGTH-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.53
Rot. Bonds4

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

N-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 42152657) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID42152657
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1
InChIInChI=1S/C19H21N5O2/c1-11(2)24-18-17(10-20-24)16(9-12(3)21-18)19(26)23-15-7-5-14(6-8-15)22-13(4)25/h5-11H,1-4H3,(H,22,25)(H,23,26)
InChIKeyPJROOKKCCNXGTH-UHFFFAOYSA-N
XLogP3.53
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-hydroxy-3-(trifluoromethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 71855273
6-methyl-1-propan-2-yl-N-quinolin-6-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 78887694
N-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 45492956
6-methyl-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42023810
6-methyl-1-propan-2-yl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31516879
N-(4-bromo-2-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 17489482
6-methyl-1-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 78875855
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 46671652
N-(4-fluorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823137
6-methyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43044165
3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid
CID 120517900
N-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822956

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 42152657) is N-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is PJROOKKCCNXGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-11(2)24-18-17(10-20-24)16(9-12(3)21-18)19(26)23-15-7-5-14(6-8-15)22-13(4)25/h5-11H,1-4H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 42152657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).