N-(2-acetamido-5-bromophenyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C20H20BrN5O2 — CID 60621106

IUPACN-(2-acetamido-5-bromophenyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(=O)Nc1ccc(Br)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C
InChIInChI=1S/C20H20BrN5O2/c1-10-18-14(9-16(12-4-5-12)23-19(18)26(3)25-10)20(28)24-17-8-13(21)6-7-15(17)22-11(2)27/h6-9,12H,4-5H2,1-3H3,(H,22,27)(H,24,28)
InChIKeyQXFDHVIGKATSGA-UHFFFAOYSA-N
MW442.32 g/mol
LogP4.13
Rot. Bonds4

About N-(2-acetamido-5-bromophenyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(2-acetamido-5-bromophenyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 60621106) has the molecular formula C20H20BrN5O2 and a molecular weight of 442.32 g/mol. Its IUPAC name is N-(2-acetamido-5-bromophenyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamido-5-bromophenyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID60621106
Molecular FormulaC20H20BrN5O2
Molecular Weight442.32 g/mol
Exact Mass441.08
IUPAC NameN-(2-acetamido-5-bromophenyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(=O)Nc1ccc(Br)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C
InChIInChI=1S/C20H20BrN5O2/c1-10-18-14(9-16(12-4-5-12)23-19(18)26(3)25-10)20(28)24-17-8-13(21)6-7-15(17)22-11(2)27/h6-9,12H,4-5H2,1-3H3,(H,22,27)(H,24,28)
InChIKeyQXFDHVIGKATSGA-UHFFFAOYSA-N
XLogP4.13
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.32
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16621058
6-cyclopropyl-N-(1-ethyl-5-methylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823436
N-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55576758
6-cyclopropyl-1,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 31266028
6-cyclopropyl-1,3-dimethyl-N-(3-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 31769500
6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146154521
6-cyclopropyl-N-(2,3-dihydro-1H-inden-5-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35337457
methyl 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616466
6-cyclopropyl-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36574852
6-cyclopropyl-N-(3-ethynylphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43046709
6-cyclopropyl-1,3-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 31758245
6-cyclopropyl-N-ethoxy-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52555845

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-bromophenyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-acetamido-5-bromophenyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 60621106) is N-(2-acetamido-5-bromophenyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-acetamido-5-bromophenyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-acetamido-5-bromophenyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(=O)Nc1ccc(Br)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C.
What is the InChIKey of N-(2-acetamido-5-bromophenyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QXFDHVIGKATSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN5O2/c1-10-18-14(9-16(12-4-5-12)23-19(18)26(3)25-10)20(28)24-17-8-13(21)6-7-15(17)22-11(2)27/h6-9,12H,4-5H2,1-3H3,(H,22,27)(H,24,28).
What are the key properties of N-(2-acetamido-5-bromophenyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2-acetamido-5-bromophenyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 442.32 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-bromophenyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 60621106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).