2-[2-[2-[1-(dimethylamino)propan-2-yloxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline

C22H25N5O — CID 142692394

IUPAC2-[2-[2-[1-(dimethylamino)propan-2-yloxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline
SMILESCC(CN(C)C)Oc1nc2cccnc2nc1C#Cc1ccccc1N(C)C
InChIInChI=1S/C22H25N5O/c1-16(15-26(2)3)28-22-19(24-21-18(25-22)10-8-14-23-21)13-12-17-9-6-7-11-20(17)27(4)5/h6-11,14,16H,15H2,1-5H3
InChIKeyURXMLKWYFMNOFV-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.82
Rot. Bonds5

About 2-[2-[2-[1-(dimethylamino)propan-2-yloxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline

2-[2-[2-[1-(dimethylamino)propan-2-yloxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline (PubChem CID 142692394) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[2-[2-[1-(dimethylamino)propan-2-yloxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[2-[2-[1-(dimethylamino)propan-2-yloxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline
PubChem CID142692394
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-[2-[2-[1-(dimethylamino)propan-2-yloxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline
SMILESCC(CN(C)C)Oc1nc2cccnc2nc1C#Cc1ccccc1N(C)C
InChIInChI=1S/C22H25N5O/c1-16(15-26(2)3)28-22-19(24-21-18(25-22)10-8-14-23-21)13-12-17-9-6-7-11-20(17)27(4)5/h6-11,14,16H,15H2,1-5H3
InChIKeyURXMLKWYFMNOFV-UHFFFAOYSA-N
XLogP2.82
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2-[2-[1-(dimethylamino)propan-2-yloxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline?
The IUPAC name of 2-[2-[2-[1-(dimethylamino)propan-2-yloxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline (CID 142692394) is 2-[2-[2-[1-(dimethylamino)propan-2-yloxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[2-[2-[1-(dimethylamino)propan-2-yloxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[2-[2-[1-(dimethylamino)propan-2-yloxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline is CC(CN(C)C)Oc1nc2cccnc2nc1C#Cc1ccccc1N(C)C.
What is the InChIKey of 2-[2-[2-[1-(dimethylamino)propan-2-yloxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline?
The InChIKey is URXMLKWYFMNOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16(15-26(2)3)28-22-19(24-21-18(25-22)10-8-14-23-21)13-12-17-9-6-7-11-20(17)27(4)5/h6-11,14,16H,15H2,1-5H3.
What are the key properties of 2-[2-[2-[1-(dimethylamino)propan-2-yloxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline?
2-[2-[2-[1-(dimethylamino)propan-2-yloxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline has a molecular weight of 375.48 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[1-(dimethylamino)propan-2-yloxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline is sourced from PubChem (CID 142692394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).