N,N-dipropyl-4-[2-[2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]aniline

C29H27F3N4O2 — CID 142692270

IUPACN,N-dipropyl-4-[2-[2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]aniline
SMILESCCCN(CCC)c1ccc(C#Cc2nc3ncccc3nc2OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C29H27F3N4O2/c1-3-18-36(19-4-2)23-12-7-21(8-13-23)11-16-26-28(35-25-6-5-17-33-27(25)34-26)37-20-22-9-14-24(15-10-22)38-29(30,31)32/h5-10,12-15,17H,3-4,18-20H2,1-2H3
InChIKeyQLLNYBXVUGOWEH-UHFFFAOYSA-N
MW520.56 g/mol
LogP6.53
Rot. Bonds9

About N,N-dipropyl-4-[2-[2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]aniline

N,N-dipropyl-4-[2-[2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]aniline (PubChem CID 142692270) has the molecular formula C29H27F3N4O2 and a molecular weight of 520.56 g/mol. Its IUPAC name is N,N-dipropyl-4-[2-[2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]aniline.

Molecular Properties

Compound NameN,N-dipropyl-4-[2-[2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]aniline
PubChem CID142692270
Molecular FormulaC29H27F3N4O2
Molecular Weight520.56 g/mol
Exact Mass520.21
IUPAC NameN,N-dipropyl-4-[2-[2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]aniline
SMILESCCCN(CCC)c1ccc(C#Cc2nc3ncccc3nc2OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C29H27F3N4O2/c1-3-18-36(19-4-2)23-12-7-21(8-13-23)11-16-26-28(35-25-6-5-17-33-27(25)34-26)37-20-22-9-14-24(15-10-22)38-29(30,31)32/h5-10,12-15,17H,3-4,18-20H2,1-2H3
InChIKeyQLLNYBXVUGOWEH-UHFFFAOYSA-N
XLogP6.53
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.56
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N-dipropyl-4-[2-[2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-4-[2-[2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]aniline?
The IUPAC name of N,N-dipropyl-4-[2-[2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]aniline (CID 142692270) is N,N-dipropyl-4-[2-[2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]aniline.
What is the SMILES notation for N,N-dipropyl-4-[2-[2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]aniline?
The canonical SMILES for N,N-dipropyl-4-[2-[2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]aniline is CCCN(CCC)c1ccc(C#Cc2nc3ncccc3nc2OCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N,N-dipropyl-4-[2-[2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]aniline?
The InChIKey is QLLNYBXVUGOWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N4O2/c1-3-18-36(19-4-2)23-12-7-21(8-13-23)11-16-26-28(35-25-6-5-17-33-27(25)34-26)37-20-22-9-14-24(15-10-22)38-29(30,31)32/h5-10,12-15,17H,3-4,18-20H2,1-2H3.
What are the key properties of N,N-dipropyl-4-[2-[2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]aniline?
N,N-dipropyl-4-[2-[2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]aniline has a molecular weight of 520.56 g/mol, XLogP of 6.53, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-4-[2-[2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]aniline is sourced from PubChem (CID 142692270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).