N-(5-bromo-6-chloro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C13H9BrClN5O — CID 166332128

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2cnc(Cl)c(Br)c2)cnc2ccnn12
InChIInChI=1S/C13H9BrClN5O/c1-7-9(6-16-11-2-3-18-20(7)11)13(21)19-8-4-10(14)12(15)17-5-8/h2-6H,1H3,(H,19,21)
InChIKeySFIABQBFIJOPAT-UHFFFAOYSA-N
MW366.61 g/mol
LogP3.10
Rot. Bonds2

About N-(5-bromo-6-chloro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-(5-bromo-6-chloro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 166332128) has the molecular formula C13H9BrClN5O and a molecular weight of 366.61 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID166332128
Molecular FormulaC13H9BrClN5O
Molecular Weight366.61 g/mol
Exact Mass364.97
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2cnc(Cl)c(Br)c2)cnc2ccnn12
InChIInChI=1S/C13H9BrClN5O/c1-7-9(6-16-11-2-3-18-20(7)11)13(21)19-8-4-10(14)12(15)17-5-8/h2-6H,1H3,(H,19,21)
InChIKeySFIABQBFIJOPAT-UHFFFAOYSA-N
XLogP3.10
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.61
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide
CID 103816473
2-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-methylbenzamide
CID 113434241
N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904
2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide
CID 103745291
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide
CID 107091817
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide
CID 113250431
N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide
CID 104624666
5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide
CID 113267905
N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide
CID 114050552
7-methyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 166332146
N-(3,3-difluoro-1-methylcyclopentyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 166302285
N-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110864014

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 166332128) is N-(5-bromo-6-chloro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)Nc2cnc(Cl)c(Br)c2)cnc2ccnn12.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is SFIABQBFIJOPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN5O/c1-7-9(6-16-11-2-3-18-20(7)11)13(21)19-8-4-10(14)12(15)17-5-8/h2-6H,1H3,(H,19,21).
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(5-bromo-6-chloro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 366.61 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-chloro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 166332128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).