[4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone

C21H18F3N5O2 — CID 71711917

IUPAC[4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCOCC3)cc2)nc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H18F3N5O2/c22-21(23,24)17-6-5-15(11-26-17)18-19(25)27-12-16(28-18)13-1-3-14(4-2-13)20(30)29-7-9-31-10-8-29/h1-6,11-12H,7-10H2,(H2,25,27)
InChIKeyOIZOYBBNHJPCGH-UHFFFAOYSA-N
MW429.40 g/mol
LogP3.28
Rot. Bonds3

About [4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone

[4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 71711917) has the molecular formula C21H18F3N5O2 and a molecular weight of 429.40 g/mol. Its IUPAC name is [4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID71711917
Molecular FormulaC21H18F3N5O2
Molecular Weight429.40 g/mol
Exact Mass429.14
IUPAC Name[4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCOCC3)cc2)nc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H18F3N5O2/c22-21(23,24)17-6-5-15(11-26-17)18-19(25)27-12-16(28-18)13-1-3-14(4-2-13)20(30)29-7-9-31-10-8-29/h1-6,11-12H,7-10H2,(H2,25,27)
InChIKeyOIZOYBBNHJPCGH-UHFFFAOYSA-N
XLogP3.28
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone (CID 71711917) is [4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone is Nc1ncc(-c2ccc(C(=O)N3CCOCC3)cc2)nc1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of [4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is OIZOYBBNHJPCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O2/c22-21(23,24)17-6-5-15(11-26-17)18-19(25)27-12-16(28-18)13-1-3-14(4-2-13)20(30)29-7-9-31-10-8-29/h1-6,11-12H,7-10H2,(H2,25,27).
What are the key properties of [4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
[4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 429.40 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71711917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).