[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(1-hydroxyethyl)morpholin-4-yl]methanone

C23H23FN4O3 — CID 90313790

IUPAC[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(1-hydroxyethyl)morpholin-4-yl]methanone
SMILESCC(O)C1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CCO1
InChIInChI=1S/C23H23FN4O3/c1-14(29)21-13-28(8-9-31-21)23(30)17-5-3-2-4-16(17)15-6-7-18(19(24)10-15)20-11-27-22(25)12-26-20/h2-7,10-12,14,21,29H,8-9,13H2,1H3,(H2,25,27)
InChIKeyLLTROHHXXKETDB-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.75
Rot. Bonds4

About [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(1-hydroxyethyl)morpholin-4-yl]methanone

[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(1-hydroxyethyl)morpholin-4-yl]methanone (PubChem CID 90313790) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(1-hydroxyethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(1-hydroxyethyl)morpholin-4-yl]methanone
PubChem CID90313790
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(1-hydroxyethyl)morpholin-4-yl]methanone
SMILESCC(O)C1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CCO1
InChIInChI=1S/C23H23FN4O3/c1-14(29)21-13-28(8-9-31-21)23(30)17-5-3-2-4-16(17)15-6-7-18(19(24)10-15)20-11-27-22(25)12-26-20/h2-7,10-12,14,21,29H,8-9,13H2,1H3,(H2,25,27)
InChIKeyLLTROHHXXKETDB-UHFFFAOYSA-N
XLogP2.75
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(1-hydroxyethyl)morpholin-4-yl]methanone?
The IUPAC name of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(1-hydroxyethyl)morpholin-4-yl]methanone (CID 90313790) is [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(1-hydroxyethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(1-hydroxyethyl)morpholin-4-yl]methanone?
The canonical SMILES for [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(1-hydroxyethyl)morpholin-4-yl]methanone is CC(O)C1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CCO1.
What is the InChIKey of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(1-hydroxyethyl)morpholin-4-yl]methanone?
The InChIKey is LLTROHHXXKETDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-14(29)21-13-28(8-9-31-21)23(30)17-5-3-2-4-16(17)15-6-7-18(19(24)10-15)20-11-27-22(25)12-26-20/h2-7,10-12,14,21,29H,8-9,13H2,1H3,(H2,25,27).
What are the key properties of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(1-hydroxyethyl)morpholin-4-yl]methanone?
[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(1-hydroxyethyl)morpholin-4-yl]methanone has a molecular weight of 422.46 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(1-hydroxyethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 90313790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).