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

C24H21ClFN5O2 — CID 157045622

IUPAC(2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine
SMILESCOc1cc([C@@H]2CN(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/t20-/m0/s1
InChIKeyYKUNPDVTCYQPPW-FQEVSTJZSA-N
MW465.92 g/mol
LogP4.77
Rot. Bonds4

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

(2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine (PubChem CID 157045622) has the molecular formula C24H21ClFN5O2 and a molecular weight of 465.92 g/mol. Its IUPAC name is (2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine
PubChem CID157045622
Molecular FormulaC24H21ClFN5O2
Molecular Weight465.92 g/mol
Exact Mass465.14
IUPAC Name(2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine
SMILESCOc1cc([C@@H]2CN(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/t20-/m0/s1
InChIKeyYKUNPDVTCYQPPW-FQEVSTJZSA-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

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine?
The IUPAC name of (2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine (CID 157045622) is (2R)-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 (2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine?
The canonical SMILES for (2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine is COc1cc([C@@H]2CN(c3cc4nc(C)cnc4c(-c4ccc(Cl)cc4F)n3)CCO2)ccn1.
What is the InChIKey of (2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine?
The InChIKey is YKUNPDVTCYQPPW-FQEVSTJZSA-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/t20-/m0/s1.
What are the key properties of (2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]-2-(2-methoxy-4-pyridinyl)morpholine?
(2R)-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 (2R)-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 157045622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).