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

C21H23ClN6O2 — CID 90273249

IUPAC[4-[6-amino-5-(4-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-chlorophenyl]-morpholin-4-ylmethanone
SMILESCC(C)C1(c2cc(-c3ccc(C(=O)N4CCOCC4)c(Cl)c3)cnc2N)C=NN=N1
InChIInChI=1S/C21H23ClN6O2/c1-13(2)21(12-25-27-26-21)17-9-15(11-24-19(17)23)14-3-4-16(18(22)10-14)20(29)28-5-7-30-8-6-28/h3-4,9-13H,5-8H2,1-2H3,(H2,23,24)
InChIKeyVIEUEAPAIBVCQO-UHFFFAOYSA-N
MW426.91 g/mol
LogP3.76
Rot. Bonds4

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

[4-[6-amino-5-(4-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-chlorophenyl]-morpholin-4-ylmethanone (PubChem CID 90273249) has the molecular formula C21H23ClN6O2 and a molecular weight of 426.91 g/mol. Its IUPAC name is [4-[6-amino-5-(4-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-chlorophenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[6-amino-5-(4-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-chlorophenyl]-morpholin-4-ylmethanone
PubChem CID90273249
Molecular FormulaC21H23ClN6O2
Molecular Weight426.91 g/mol
Exact Mass426.16
IUPAC Name[4-[6-amino-5-(4-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-chlorophenyl]-morpholin-4-ylmethanone
SMILESCC(C)C1(c2cc(-c3ccc(C(=O)N4CCOCC4)c(Cl)c3)cnc2N)C=NN=N1
InChIInChI=1S/C21H23ClN6O2/c1-13(2)21(12-25-27-26-21)17-9-15(11-24-19(17)23)14-3-4-16(18(22)10-14)20(29)28-5-7-30-8-6-28/h3-4,9-13H,5-8H2,1-2H3,(H2,23,24)
InChIKeyVIEUEAPAIBVCQO-UHFFFAOYSA-N
XLogP3.76
TPSA105.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 53.76
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-(4-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-chlorophenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[6-amino-5-(4-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-chlorophenyl]-morpholin-4-ylmethanone (CID 90273249) is [4-[6-amino-5-(4-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-chlorophenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[6-amino-5-(4-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-chlorophenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[6-amino-5-(4-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-chlorophenyl]-morpholin-4-ylmethanone is CC(C)C1(c2cc(-c3ccc(C(=O)N4CCOCC4)c(Cl)c3)cnc2N)C=NN=N1.
What is the InChIKey of [4-[6-amino-5-(4-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-chlorophenyl]-morpholin-4-ylmethanone?
The InChIKey is VIEUEAPAIBVCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O2/c1-13(2)21(12-25-27-26-21)17-9-15(11-24-19(17)23)14-3-4-16(18(22)10-14)20(29)28-5-7-30-8-6-28/h3-4,9-13H,5-8H2,1-2H3,(H2,23,24).
What are the key properties of [4-[6-amino-5-(4-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-chlorophenyl]-morpholin-4-ylmethanone?
[4-[6-amino-5-(4-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-chlorophenyl]-morpholin-4-ylmethanone has a molecular weight of 426.91 g/mol, XLogP of 3.76, 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-(4-propan-2-yltriazol-4-yl)-3-pyridinyl]-2-chlorophenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 90273249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).