4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine

C24H21ClFN5O2 — CID 157045102

IUPAC4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine
SMILESCOc1cc(C2CN(c3cc4nc(C)cnc4c(-c4ccc(Cl)cc4F)n3)CCO2)ccn1
InChIInChI=1S/C24H21ClFN5O2/c1-14-12-28-24-19(29-14)11-21(30-23(24)17-4-3-16(25)10-18(17)26)31-7-8-33-20(13-31)15-5-6-27-22(9-15)32-2/h3-6,9-12,20H,7-8,13H2,1-2H3
InChIKeyYKUNPDVTCYQPPW-UHFFFAOYSA-N
MW465.92 g/mol
LogP4.77
Rot. Bonds4

About 4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine

4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine (PubChem CID 157045102) has the molecular formula C24H21ClFN5O2 and a molecular weight of 465.92 g/mol. Its IUPAC name is 4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine.

Molecular Properties

Compound Name4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine
PubChem CID157045102
Molecular FormulaC24H21ClFN5O2
Molecular Weight465.92 g/mol
Exact Mass465.14
IUPAC Name4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine
SMILESCOc1cc(C2CN(c3cc4nc(C)cnc4c(-c4ccc(Cl)cc4F)n3)CCO2)ccn1
InChIInChI=1S/C24H21ClFN5O2/c1-14-12-28-24-19(29-14)11-21(30-23(24)17-4-3-16(25)10-18(17)26)31-7-8-33-20(13-31)15-5-6-27-22(9-15)32-2/h3-6,9-12,20H,7-8,13H2,1-2H3
InChIKeyYKUNPDVTCYQPPW-UHFFFAOYSA-N
XLogP4.77
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.92
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine 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 4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine?
The IUPAC name of 4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine (CID 157045102) is 4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine.
What is the SMILES notation for 4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine?
The canonical SMILES for 4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine is COc1cc(C2CN(c3cc4nc(C)cnc4c(-c4ccc(Cl)cc4F)n3)CCO2)ccn1.
What is the InChIKey of 4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine?
The InChIKey is YKUNPDVTCYQPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O2/c1-14-12-28-24-19(29-14)11-21(30-23(24)17-4-3-16(25)10-18(17)26)31-7-8-33-20(13-31)15-5-6-27-22(9-15)32-2/h3-6,9-12,20H,7-8,13H2,1-2H3.
What are the key properties of 4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine?
4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine has a molecular weight of 465.92 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine is sourced from PubChem (CID 157045102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).