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

C25H21N7O — CID 69457262

IUPAC2-(furan-2-yl)-6-[2-[1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]ethynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESNc1nc(C#CC2CCCN2Cc2cnc3ccccc3c2)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C25H21N7O/c26-23-25-29-24(22-8-4-12-33-22)30-32(25)16-19(28-23)9-10-20-6-3-11-31(20)15-17-13-18-5-1-2-7-21(18)27-14-17/h1-2,4-5,7-8,12-14,16,20H,3,6,11,15H2,(H2,26,28)
InChIKeyDILCTHZAYASNFR-UHFFFAOYSA-N
MW435.49 g/mol
LogP3.53
Rot. Bonds3

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

2-(furan-2-yl)-6-[2-[1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]ethynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 69457262) has the molecular formula C25H21N7O and a molecular weight of 435.49 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-[2-[1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]ethynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-6-[2-[1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]ethynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID69457262
Molecular FormulaC25H21N7O
Molecular Weight435.49 g/mol
Exact Mass435.18
IUPAC Name2-(furan-2-yl)-6-[2-[1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]ethynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESNc1nc(C#CC2CCCN2Cc2cnc3ccccc3c2)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C25H21N7O/c26-23-25-29-24(22-8-4-12-33-22)30-32(25)16-19(28-23)9-10-20-6-3-11-31(20)15-17-13-18-5-1-2-7-21(18)27-14-17/h1-2,4-5,7-8,12-14,16,20H,3,6,11,15H2,(H2,26,28)
InChIKeyDILCTHZAYASNFR-UHFFFAOYSA-N
XLogP3.53
TPSA98.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-[2-[1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]ethynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of 2-(furan-2-yl)-6-[2-[1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]ethynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 69457262) is 2-(furan-2-yl)-6-[2-[1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]ethynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 2-(furan-2-yl)-6-[2-[1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]ethynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 2-(furan-2-yl)-6-[2-[1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]ethynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is Nc1nc(C#CC2CCCN2Cc2cnc3ccccc3c2)cn2nc(-c3ccco3)nc12.
What is the InChIKey of 2-(furan-2-yl)-6-[2-[1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]ethynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is DILCTHZAYASNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O/c26-23-25-29-24(22-8-4-12-33-22)30-32(25)16-19(28-23)9-10-20-6-3-11-31(20)15-17-13-18-5-1-2-7-21(18)27-14-17/h1-2,4-5,7-8,12-14,16,20H,3,6,11,15H2,(H2,26,28).
What are the key properties of 2-(furan-2-yl)-6-[2-[1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]ethynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
2-(furan-2-yl)-6-[2-[1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]ethynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 435.49 g/mol, XLogP of 3.53, 3 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-[2-[1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]ethynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 69457262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).