1-methyl-4-[3-[6-[2-(1-pyridin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-2H-pyrrol-5-one

C24H21N7O2 — CID 170384128

IUPAC1-methyl-4-[3-[6-[2-(1-pyridin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-2H-pyrrol-5-one
SMILESCC(Nc1nccc(-c2cccc(-c3cc(C4=CCN(C)C4=O)on3)n2)n1)c1ccncc1
InChIInChI=1S/C24H21N7O2/c1-15(16-6-10-25-11-7-16)27-24-26-12-8-20(29-24)18-4-3-5-19(28-18)21-14-22(33-30-21)17-9-13-31(2)23(17)32/h3-12,14-15H,13H2,1-2H3,(H,26,27,29)
InChIKeyZTPVCJWFJDUGIN-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.62
Rot. Bonds6

About 1-methyl-4-[3-[6-[2-(1-pyridin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-2H-pyrrol-5-one

1-methyl-4-[3-[6-[2-(1-pyridin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-2H-pyrrol-5-one (PubChem CID 170384128) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is 1-methyl-4-[3-[6-[2-(1-pyridin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-methyl-4-[3-[6-[2-(1-pyridin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-2H-pyrrol-5-one
PubChem CID170384128
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name1-methyl-4-[3-[6-[2-(1-pyridin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-2H-pyrrol-5-one
SMILESCC(Nc1nccc(-c2cccc(-c3cc(C4=CCN(C)C4=O)on3)n2)n1)c1ccncc1
InChIInChI=1S/C24H21N7O2/c1-15(16-6-10-25-11-7-16)27-24-26-12-8-20(29-24)18-4-3-5-19(28-18)21-14-22(33-30-21)17-9-13-31(2)23(17)32/h3-12,14-15H,13H2,1-2H3,(H,26,27,29)
InChIKeyZTPVCJWFJDUGIN-UHFFFAOYSA-N
XLogP3.62
TPSA109.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-methyl-4-[3-[6-[2-(1-pyridin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-2H-pyrrol-5-one with MolForge

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Launch Full Analysis

Related Compounds

4-[6-[5-(1-methyl-2H-pyrrol-1-ium-4-yl)-1,2-oxazol-3-yl]-2-pyridinyl]-N-(1-pyridin-4-ylethyl)pyrimidin-2-amine
CID 170573436
(3S)-1-methyl-3-[3-[6-[2-[[(1S)-1-pyridin-4-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170379580
(3S)-1-methyl-3-[3-[6-[2-[[(1R)-1-pyridin-4-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170379578
3-hydroxy-1-methyl-3-[3-[6-[2-[[(1S)-1-pyridin-4-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326952
3-hydroxy-1-methyl-3-[3-[6-[2-[[(1R)-1-(1H-pyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326874
3-hydroxy-1-methyl-3-[3-[6-[2-[[(1S)-1-(1H-pyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326976
(3R)-3-hydroxy-1-methyl-3-[3-[6-[2-[1-(1-methylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326194
3-hydroxy-1-methyl-3-[3-[6-[2-[1-(1-methylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326367
(3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-7-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 170379695
(3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-6-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 170379577
(3R)-3-hydroxy-1-methyl-3-[3-[6-[2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326743
3-hydroxy-1-methyl-3-[3-[6-[2-[1-(1-methylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 177263070

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[6-[2-(1-pyridin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-2H-pyrrol-5-one?
The IUPAC name of 1-methyl-4-[3-[6-[2-(1-pyridin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-2H-pyrrol-5-one (CID 170384128) is 1-methyl-4-[3-[6-[2-(1-pyridin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-2H-pyrrol-5-one.
What is the SMILES notation for 1-methyl-4-[3-[6-[2-(1-pyridin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-2H-pyrrol-5-one?
The canonical SMILES for 1-methyl-4-[3-[6-[2-(1-pyridin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-2H-pyrrol-5-one is CC(Nc1nccc(-c2cccc(-c3cc(C4=CCN(C)C4=O)on3)n2)n1)c1ccncc1.
What is the InChIKey of 1-methyl-4-[3-[6-[2-(1-pyridin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-2H-pyrrol-5-one?
The InChIKey is ZTPVCJWFJDUGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-15(16-6-10-25-11-7-16)27-24-26-12-8-20(29-24)18-4-3-5-19(28-18)21-14-22(33-30-21)17-9-13-31(2)23(17)32/h3-12,14-15H,13H2,1-2H3,(H,26,27,29).
What are the key properties of 1-methyl-4-[3-[6-[2-(1-pyridin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-2H-pyrrol-5-one?
1-methyl-4-[3-[6-[2-(1-pyridin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-2H-pyrrol-5-one has a molecular weight of 439.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[6-[2-(1-pyridin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-2H-pyrrol-5-one is sourced from PubChem (CID 170384128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).