6-bromo-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazine;3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine

C22H18BrN11 — CID 157142767

IUPAC6-bromo-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazine;3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine
SMILESCn1cc(-c2cnc3ccc(Br)nc3n2)cn1.Cn1cc(-c2cnc3ccc(N)nc3n2)cn1
InChIInChI=1S/C11H8BrN5.C11H10N6/c2*1-17-6-7(4-14-17)9-5-13-8-2-3-10(12)16-11(8)15-9/h2-6H,1H3;2-6H,1H3,(H2,12,15,16)
InChIKeyAKJIFAVOFXAYMD-UHFFFAOYSA-N
MW516.37 g/mol
LogP3.20
Rot. Bonds2

About 6-bromo-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazine;3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine

6-bromo-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazine;3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine (PubChem CID 157142767) has the molecular formula C22H18BrN11 and a molecular weight of 516.37 g/mol. Its IUPAC name is 6-bromo-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazine;3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound Name6-bromo-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazine;3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine
PubChem CID157142767
Molecular FormulaC22H18BrN11
Molecular Weight516.37 g/mol
Exact Mass515.09
IUPAC Name6-bromo-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazine;3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine
SMILESCn1cc(-c2cnc3ccc(Br)nc3n2)cn1.Cn1cc(-c2cnc3ccc(N)nc3n2)cn1
InChIInChI=1S/C11H8BrN5.C11H10N6/c2*1-17-6-7(4-14-17)9-5-13-8-2-3-10(12)16-11(8)15-9/h2-6H,1H3;2-6H,1H3,(H2,12,15,16)
InChIKeyAKJIFAVOFXAYMD-UHFFFAOYSA-N
XLogP3.20
TPSA139.00 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

6-Bromo-2-[1-Methyl-3-(Propan-2-Yl)-1h-Pyrazol-4-Yl]-1h-Imidazo[4,5-B]pyridine
CID 47052811
N-[[(2S)-1-methylpiperazin-2-yl]methyl]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-amine
CID 68290508
7-(1-methylpyrazol-4-yl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 68309299
6-methyl-N-(2-piperazin-1-yl-4-pyridinyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 56682674
6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
CID 122189151
3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)-1-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-6-amine
CID 168292622
US9447092, Comparator 2, Example 57
CID 57897151
US9447092, Comparator 1, Example 56
CID 57897195
N-(6-(2-methylpyrrolidin-1-yl)pyridin-2-yl)-6-(pyridin-4-yl)imidazo[1,2-b]pyridazin-8-amine
CID 71526536
US9266891, III-47
CID 76070844
US9266891, III-53
CID 76070954
US10336761, Example 283
CID 126484262

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazine;3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazine;3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine (CID 157142767) is 6-bromo-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazine;3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for 6-bromo-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazine;3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for 6-bromo-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazine;3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine is Cn1cc(-c2cnc3ccc(Br)nc3n2)cn1.Cn1cc(-c2cnc3ccc(N)nc3n2)cn1.
What is the InChIKey of 6-bromo-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazine;3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is AKJIFAVOFXAYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5.C11H10N6/c2*1-17-6-7(4-14-17)9-5-13-8-2-3-10(12)16-11(8)15-9/h2-6H,1H3;2-6H,1H3,(H2,12,15,16).
What are the key properties of 6-bromo-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazine;3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine?
6-bromo-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazine;3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 516.37 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazine;3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 157142767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).