2-(morpholine-4-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one

C24H24N6O4 — CID 138524584

IUPAC2-(morpholine-4-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
SMILESCC(C)n1cnnc1-c1cccc(Nc2cccc3oc(C(=O)N4CCOCC4)cc(=O)c23)n1
InChIInChI=1S/C24H24N6O4/c1-15(2)30-14-25-28-23(30)17-6-4-8-21(27-17)26-16-5-3-7-19-22(16)18(31)13-20(34-19)24(32)29-9-11-33-12-10-29/h3-8,13-15H,9-12H2,1-2H3,(H,26,27)
InChIKeyUDAUMXAMFPSKOQ-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.24
Rot. Bonds5

About 2-(morpholine-4-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one

2-(morpholine-4-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one (PubChem CID 138524584) has the molecular formula C24H24N6O4 and a molecular weight of 460.49 g/mol. Its IUPAC name is 2-(morpholine-4-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one.

Molecular Properties

Compound Name2-(morpholine-4-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
PubChem CID138524584
Molecular FormulaC24H24N6O4
Molecular Weight460.49 g/mol
Exact Mass460.19
IUPAC Name2-(morpholine-4-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
SMILESCC(C)n1cnnc1-c1cccc(Nc2cccc3oc(C(=O)N4CCOCC4)cc(=O)c23)n1
InChIInChI=1S/C24H24N6O4/c1-15(2)30-14-25-28-23(30)17-6-4-8-21(27-17)26-16-5-3-7-19-22(16)18(31)13-20(34-19)24(32)29-9-11-33-12-10-29/h3-8,13-15H,9-12H2,1-2H3,(H,26,27)
InChIKeyUDAUMXAMFPSKOQ-UHFFFAOYSA-N
XLogP3.24
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholine-4-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one?
The IUPAC name of 2-(morpholine-4-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one (CID 138524584) is 2-(morpholine-4-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one.
What is the SMILES notation for 2-(morpholine-4-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one?
The canonical SMILES for 2-(morpholine-4-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one is CC(C)n1cnnc1-c1cccc(Nc2cccc3oc(C(=O)N4CCOCC4)cc(=O)c23)n1.
What is the InChIKey of 2-(morpholine-4-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one?
The InChIKey is UDAUMXAMFPSKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4/c1-15(2)30-14-25-28-23(30)17-6-4-8-21(27-17)26-16-5-3-7-19-22(16)18(31)13-20(34-19)24(32)29-9-11-33-12-10-29/h3-8,13-15H,9-12H2,1-2H3,(H,26,27).
What are the key properties of 2-(morpholine-4-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one?
2-(morpholine-4-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one has a molecular weight of 460.49 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholine-4-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one is sourced from PubChem (CID 138524584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).