[4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-fluorophenyl]-morpholin-4-ylmethanone

C21H23FN6O2 — CID 77106164

IUPAC[4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-fluorophenyl]-morpholin-4-ylmethanone
SMILESCC(C)n1cc(-c2cc(-c3ccc(C(=O)N4CCOCC4)c(F)c3)cnc2N)nn1
InChIInChI=1S/C21H23FN6O2/c1-13(2)28-12-19(25-26-28)17-9-15(11-24-20(17)23)14-3-4-16(18(22)10-14)21(29)27-5-7-30-8-6-27/h3-4,9-13H,5-8H2,1-2H3,(H2,23,24)
InChIKeyLZHZPHPPLHTMIZ-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.78
Rot. Bonds4

About [4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-fluorophenyl]-morpholin-4-ylmethanone

[4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-fluorophenyl]-morpholin-4-ylmethanone (PubChem CID 77106164) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is [4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-fluorophenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-fluorophenyl]-morpholin-4-ylmethanone
PubChem CID77106164
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name[4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-fluorophenyl]-morpholin-4-ylmethanone
SMILESCC(C)n1cc(-c2cc(-c3ccc(C(=O)N4CCOCC4)c(F)c3)cnc2N)nn1
InChIInChI=1S/C21H23FN6O2/c1-13(2)28-12-19(25-26-28)17-9-15(11-24-20(17)23)14-3-4-16(18(22)10-14)21(29)27-5-7-30-8-6-27/h3-4,9-13H,5-8H2,1-2H3,(H2,23,24)
InChIKeyLZHZPHPPLHTMIZ-UHFFFAOYSA-N
XLogP2.78
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-fluorophenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-fluorophenyl]-morpholin-4-ylmethanone (CID 77106164) is [4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-fluorophenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-fluorophenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-fluorophenyl]-morpholin-4-ylmethanone is CC(C)n1cc(-c2cc(-c3ccc(C(=O)N4CCOCC4)c(F)c3)cnc2N)nn1.
What is the InChIKey of [4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-fluorophenyl]-morpholin-4-ylmethanone?
The InChIKey is LZHZPHPPLHTMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-13(2)28-12-19(25-26-28)17-9-15(11-24-20(17)23)14-3-4-16(18(22)10-14)21(29)27-5-7-30-8-6-27/h3-4,9-13H,5-8H2,1-2H3,(H2,23,24).
What are the key properties of [4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-fluorophenyl]-morpholin-4-ylmethanone?
[4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-fluorophenyl]-morpholin-4-ylmethanone has a molecular weight of 410.45 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-5-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-fluorophenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 77106164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).