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

C35H29N7O4 — CID 123760741

IUPAC2-(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
SMILESCc1cc(CC(=O)c2cc(Oc3cccnc3)ccn2)ccn1.Cc1ccnc(CC(=O)c2cc(Oc3cncnc3)ccn2)c1
InChIInChI=1S/C18H15N3O2.C17H14N4O2/c1-13-9-14(4-7-20-13)10-18(22)17-11-15(5-8-21-17)23-16-3-2-6-19-12-16;1-12-2-4-20-13(6-12)7-17(22)16-8-14(3-5-21-16)23-15-9-18-11-19-10-15/h2-9,11-12H,10H2,1H3;2-6,8-11H,7H2,1H3
InChIKeyYGBKROKOYQXVAF-UHFFFAOYSA-N
MW611.66 g/mol
LogP6.19
Rot. Bonds10

About 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

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 (PubChem CID 123760741) has the molecular formula C35H29N7O4 and a molecular weight of 611.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID123760741
Molecular FormulaC35H29N7O4
Molecular Weight611.66 g/mol
Exact Mass611.23
IUPAC Name2-(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
SMILESCc1cc(CC(=O)c2cc(Oc3cccnc3)ccn2)ccn1.Cc1ccnc(CC(=O)c2cc(Oc3cncnc3)ccn2)c1
InChIInChI=1S/C18H15N3O2.C17H14N4O2/c1-13-9-14(4-7-20-13)10-18(22)17-11-15(5-8-21-17)23-16-3-2-6-19-12-16;1-12-2-4-20-13(6-12)7-17(22)16-8-14(3-5-21-16)23-15-9-18-11-19-10-15/h2-9,11-12H,10H2,1H3;2-6,8-11H,7H2,1H3
InChIKeyYGBKROKOYQXVAF-UHFFFAOYSA-N
XLogP6.19
TPSA142.83 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500611.66
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349295
2-(3-chlorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349292
2-(5-fluoro-6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349276
2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349254
2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349291
2-(5-fluoro-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 157270549
2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 159437395
1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone
CID 123892434
(4-pyridin-3-yloxy-2-pyridinyl)methanol
CID 61255855
2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349271
2-(oxan-4-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349315

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(CC(=O)c2cc(Oc3cccnc3)ccn2)ccn1.Cc1ccnc(CC(=O)c2cc(Oc3cncnc3)ccn2)c1.
What is the InChIKey of 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?
The InChIKey is YGBKROKOYQXVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2.C17H14N4O2/c1-13-9-14(4-7-20-13)10-18(22)17-11-15(5-8-21-17)23-16-3-2-6-19-12-16;1-12-2-4-20-13(6-12)7-17(22)16-8-14(3-5-21-16)23-15-9-18-11-19-10-15/h2-9,11-12H,10H2,1H3;2-6,8-11H,7H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 611.66 g/mol, XLogP of 6.19, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123760741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).