(3-amino-6-bromo-5-chloropyrazin-2-yl)-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone

C11H10BrClN6O — CID 170682901

IUPAC(3-amino-6-bromo-5-chloropyrazin-2-yl)-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone
SMILESNc1nc(Cl)c(Br)nc1C(=O)N1CCCn2nccc21
InChIInChI=1S/C11H10BrClN6O/c12-8-9(13)17-10(14)7(16-8)11(20)18-4-1-5-19-6(18)2-3-15-19/h2-3H,1,4-5H2,(H2,14,17)
InChIKeyHHTONXCLAPFDSG-UHFFFAOYSA-N
MW357.60 g/mol
LogP1.72
Rot. Bonds1

About (3-amino-6-bromo-5-chloropyrazin-2-yl)-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone

(3-amino-6-bromo-5-chloropyrazin-2-yl)-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone (PubChem CID 170682901) has the molecular formula C11H10BrClN6O and a molecular weight of 357.60 g/mol. Its IUPAC name is (3-amino-6-bromo-5-chloropyrazin-2-yl)-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-6-bromo-5-chloropyrazin-2-yl)-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone
PubChem CID170682901
Molecular FormulaC11H10BrClN6O
Molecular Weight357.60 g/mol
Exact Mass355.98
IUPAC Name(3-amino-6-bromo-5-chloropyrazin-2-yl)-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone
SMILESNc1nc(Cl)c(Br)nc1C(=O)N1CCCn2nccc21
InChIInChI=1S/C11H10BrClN6O/c12-8-9(13)17-10(14)7(16-8)11(20)18-4-1-5-19-6(18)2-3-15-19/h2-3H,1,4-5H2,(H2,14,17)
InChIKeyHHTONXCLAPFDSG-UHFFFAOYSA-N
XLogP1.72
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.60
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-amino-5-[(4S)-4-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]pyrazin-2-yl]-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone
CID 170682899
[3-amino-5-(4-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl)pyrazin-2-yl]-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone
CID 170683208
(R)-N-[1'-[6-amino-5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 170682943
1-(2,6-dichloropyridine-3-carbonyl)pyrrolidin-2-one
CID 106993470
(3-amino-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-cyclopropylmethanone
CID 165448823
2,3-dihydroimidazo[1,2-b]pyrazol-1-yl-(2-methyl-3-pyridin-2-ylphenyl)methanone
CID 126817495
4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]-N-propan-2-ylbenzamide
CID 20919982
1-(1-chloroisoquinoline-3-carbonyl)pyrrolidin-2-one
CID 61215483
3-amino-5-chloro-6-methylpyrazine-2-carboxylic acid
CID 129321029
3-amino-6-bromo-5-iodopyrazine-2-carboxylic acid
CID 156743414
3-amino-5-(azepan-1-yl)-6-chloropyrazine-2-carboxamide
CID 102060931
6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide;ethane;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;propane
CID 145225030

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-bromo-5-chloropyrazin-2-yl)-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone?
The IUPAC name of (3-amino-6-bromo-5-chloropyrazin-2-yl)-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone (CID 170682901) is (3-amino-6-bromo-5-chloropyrazin-2-yl)-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone.
What is the SMILES notation for (3-amino-6-bromo-5-chloropyrazin-2-yl)-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone?
The canonical SMILES for (3-amino-6-bromo-5-chloropyrazin-2-yl)-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone is Nc1nc(Cl)c(Br)nc1C(=O)N1CCCn2nccc21.
What is the InChIKey of (3-amino-6-bromo-5-chloropyrazin-2-yl)-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone?
The InChIKey is HHTONXCLAPFDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN6O/c12-8-9(13)17-10(14)7(16-8)11(20)18-4-1-5-19-6(18)2-3-15-19/h2-3H,1,4-5H2,(H2,14,17).
What are the key properties of (3-amino-6-bromo-5-chloropyrazin-2-yl)-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone?
(3-amino-6-bromo-5-chloropyrazin-2-yl)-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone has a molecular weight of 357.60 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-bromo-5-chloropyrazin-2-yl)-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone is sourced from PubChem (CID 170682901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).