6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C20H16BrN9 — CID 58173431

IUPAC6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(Br)c(N2CCn3ncnc3C2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C20H16BrN9/c21-17-18(22)30-19(27-20(17)28-5-6-29-16(10-28)24-11-26-29)14(9-25-30)13-7-12-3-1-2-4-15(12)23-8-13/h1-4,7-9,11H,5-6,10,22H2
InChIKeyPDHCCJQECXINJZ-UHFFFAOYSA-N
MW462.32 g/mol
LogP2.90
Rot. Bonds2

About 6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 58173431) has the molecular formula C20H16BrN9 and a molecular weight of 462.32 g/mol. Its IUPAC name is 6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID58173431
Molecular FormulaC20H16BrN9
Molecular Weight462.32 g/mol
Exact Mass461.07
IUPAC Name6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(Br)c(N2CCn3ncnc3C2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C20H16BrN9/c21-17-18(22)30-19(27-20(17)28-5-6-29-16(10-28)24-11-26-29)14(9-25-30)13-7-12-3-1-2-4-15(12)23-8-13/h1-4,7-9,11H,5-6,10,22H2
InChIKeyPDHCCJQECXINJZ-UHFFFAOYSA-N
XLogP2.90
TPSA103.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 58173431) is 6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(Br)c(N2CCn3ncnc3C2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of 6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PDHCCJQECXINJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN9/c21-17-18(22)30-19(27-20(17)28-5-6-29-16(10-28)24-11-26-29)14(9-25-30)13-7-12-3-1-2-4-15(12)23-8-13/h1-4,7-9,11H,5-6,10,22H2.
What are the key properties of 6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 462.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 58173431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).