(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

C24H23N7O2 — CID 170379580

IUPAC(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
SMILESC[C@H](Nc1nccc(-c2cccc(-c3cc([C@@H]4CCN(C)C4=O)on3)n2)n1)c1ccncc1
InChIInChI=1S/C24H23N7O2/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/h3-8,10-12,14-15,17H,9,13H2,1-2H3,(H,26,27,29)/t15-,17-/m0/s1
InChIKeyQOZDBQXNCXEWOS-RDJZCZTQSA-N
MW441.50 g/mol
LogP3.71
Rot. Bonds6

About (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

(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 (PubChem CID 170379580) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID170379580
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name(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
SMILESC[C@H](Nc1nccc(-c2cccc(-c3cc([C@@H]4CCN(C)C4=O)on3)n2)n1)c1ccncc1
InChIInChI=1S/C24H23N7O2/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/h3-8,10-12,14-15,17H,9,13H2,1-2H3,(H,26,27,29)/t15-,17-/m0/s1
InChIKeyQOZDBQXNCXEWOS-RDJZCZTQSA-N
XLogP3.71
TPSA109.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(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
(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
(3S)-3-[3-[6-[2-[[(2S)-1-(3,3-difluoroazetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 170384332
(2S)-N-methyl-2-[[4-[6-[5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]-N-phenylpropanamide
CID 170384435
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
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
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
4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-2-amine
CID 170573556
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
(4R)-4-[3-[6-[2-[(2-methoxypyrimidin-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1,3-dimethylpiperidin-2-one
CID 170379344

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@H](Nc1nccc(-c2cccc(-c3cc([C@@H]4CCN(C)C4=O)on3)n2)n1)c1ccncc1.
What is the InChIKey of (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?
The InChIKey is QOZDBQXNCXEWOS-RDJZCZTQSA-N. The full InChI is InChI=1S/C24H23N7O2/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/h3-8,10-12,14-15,17H,9,13H2,1-2H3,(H,26,27,29)/t15-,17-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 441.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 170379580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).