2-(furan-2-yl)-6-[1-(quinolin-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C24H21N7O — CID 69454928

IUPAC2-(furan-2-yl)-6-[1-(quinolin-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESNc1nc(C2=CCN(Cc3ccnc4ccccc34)CC2)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C24H21N7O/c25-22-24-28-23(21-6-3-13-32-21)29-31(24)15-20(27-22)16-8-11-30(12-9-16)14-17-7-10-26-19-5-2-1-4-18(17)19/h1-8,10,13,15H,9,11-12,14H2,(H2,25,27)
InChIKeyYAEVDAAYMXPKKP-UHFFFAOYSA-N
MW423.48 g/mol
LogP3.80
Rot. Bonds4

About 2-(furan-2-yl)-6-[1-(quinolin-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

2-(furan-2-yl)-6-[1-(quinolin-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 69454928) has the molecular formula C24H21N7O and a molecular weight of 423.48 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-[1-(quinolin-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-6-[1-(quinolin-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID69454928
Molecular FormulaC24H21N7O
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC Name2-(furan-2-yl)-6-[1-(quinolin-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESNc1nc(C2=CCN(Cc3ccnc4ccccc34)CC2)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C24H21N7O/c25-22-24-28-23(21-6-3-13-32-21)29-31(24)15-20(27-22)16-8-11-30(12-9-16)14-17-7-10-26-19-5-2-1-4-18(17)19/h1-8,10,13,15H,9,11-12,14H2,(H2,25,27)
InChIKeyYAEVDAAYMXPKKP-UHFFFAOYSA-N
XLogP3.80
TPSA98.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(furan-2-yl)-6-[1-(quinolin-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-[1-(quinolin-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of 2-(furan-2-yl)-6-[1-(quinolin-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 69454928) is 2-(furan-2-yl)-6-[1-(quinolin-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 2-(furan-2-yl)-6-[1-(quinolin-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 2-(furan-2-yl)-6-[1-(quinolin-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is Nc1nc(C2=CCN(Cc3ccnc4ccccc34)CC2)cn2nc(-c3ccco3)nc12.
What is the InChIKey of 2-(furan-2-yl)-6-[1-(quinolin-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is YAEVDAAYMXPKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O/c25-22-24-28-23(21-6-3-13-32-21)29-31(24)15-20(27-22)16-8-11-30(12-9-16)14-17-7-10-26-19-5-2-1-4-18(17)19/h1-8,10,13,15H,9,11-12,14H2,(H2,25,27).
What are the key properties of 2-(furan-2-yl)-6-[1-(quinolin-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
2-(furan-2-yl)-6-[1-(quinolin-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 423.48 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-[1-(quinolin-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 69454928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).