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

C22H21FN4O3 — CID 90313762

IUPAC[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESNc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCOC(CO)C3)cc2F)cn1
InChIInChI=1S/C22H21FN4O3/c23-19-9-14(5-6-18(19)20-10-26-21(24)11-25-20)16-3-1-2-4-17(16)22(29)27-7-8-30-15(12-27)13-28/h1-6,9-11,15,28H,7-8,12-13H2,(H2,24,26)
InChIKeyHPCWCBVWQHGZCA-UHFFFAOYSA-N
MW408.43 g/mol
LogP2.37
Rot. Bonds4

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

[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 90313762) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID90313762
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC Name[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESNc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCOC(CO)C3)cc2F)cn1
InChIInChI=1S/C22H21FN4O3/c23-19-9-14(5-6-18(19)20-10-26-21(24)11-25-20)16-3-1-2-4-17(16)22(29)27-7-8-30-15(12-27)13-28/h1-6,9-11,15,28H,7-8,12-13H2,(H2,24,26)
InChIKeyHPCWCBVWQHGZCA-UHFFFAOYSA-N
XLogP2.37
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.37
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-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 90313762) is [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone is Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCOC(CO)C3)cc2F)cn1.
What is the InChIKey of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is HPCWCBVWQHGZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c23-19-9-14(5-6-18(19)20-10-26-21(24)11-25-20)16-3-1-2-4-17(16)22(29)27-7-8-30-15(12-27)13-28/h1-6,9-11,15,28H,7-8,12-13H2,(H2,24,26).
What are the key properties of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone?
[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 408.43 g/mol, XLogP of 2.37, 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-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 90313762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).