2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

C33H26N8O4 — CID 123785389

IUPAC2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESCc1ccnc(CC(=O)c2cc(Oc3cncnc3)ccn2)c1.O=C(Cc1ccccn1)c1cc(Oc2cncnc2)ccn1
InChIInChI=1S/C17H14N4O2.C16H12N4O2/c1-12-2-4-20-13(6-12)7-17(22)16-8-14(3-5-21-16)23-15-9-18-11-19-10-15;21-16(7-12-3-1-2-5-19-12)15-8-13(4-6-20-15)22-14-9-17-11-18-10-14/h2-6,8-11H,7H2,1H3;1-6,8-11H,7H2
InChIKeyVLXGAZNHYIIZSA-UHFFFAOYSA-N
MW598.62 g/mol
LogP5.28
Rot. Bonds10

About 2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (PubChem CID 123785389) has the molecular formula C33H26N8O4 and a molecular weight of 598.62 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
PubChem CID123785389
Molecular FormulaC33H26N8O4
Molecular Weight598.62 g/mol
Exact Mass598.21
IUPAC Name2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESCc1ccnc(CC(=O)c2cc(Oc3cncnc3)ccn2)c1.O=C(Cc1ccccn1)c1cc(Oc2cncnc2)ccn1
InChIInChI=1S/C17H14N4O2.C16H12N4O2/c1-12-2-4-20-13(6-12)7-17(22)16-8-14(3-5-21-16)23-15-9-18-11-19-10-15;21-16(7-12-3-1-2-5-19-12)15-8-13(4-6-20-15)22-14-9-17-11-18-10-14/h2-6,8-11H,7H2,1H3;1-6,8-11H,7H2
InChIKeyVLXGAZNHYIIZSA-UHFFFAOYSA-N
XLogP5.28
TPSA155.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500598.62
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 123760741
2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349295
2-(5-fluoro-6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349276
2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349291
2-pyridin-2-yl-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanone
CID 157345823
2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349271
2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 104798902
2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349254
2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 79746269
ethane;methyl 2-(4-methyl-2-pyridinyl)acetate
CID 144506268
1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone
CID 147632074
2-(3-chlorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349292

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (CID 123785389) is 2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is Cc1ccnc(CC(=O)c2cc(Oc3cncnc3)ccn2)c1.O=C(Cc1ccccn1)c1cc(Oc2cncnc2)ccn1.
What is the InChIKey of 2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The InChIKey is VLXGAZNHYIIZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2.C16H12N4O2/c1-12-2-4-20-13(6-12)7-17(22)16-8-14(3-5-21-16)23-15-9-18-11-19-10-15;21-16(7-12-3-1-2-5-19-12)15-8-13(4-6-20-15)22-14-9-17-11-18-10-14/h2-6,8-11H,7H2,1H3;1-6,8-11H,7H2.
What are the key properties of 2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone has a molecular weight of 598.62 g/mol, XLogP of 5.28, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 123785389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).