3-hydroxy-1-methyl-3-[3-[6-[2-[[5-(5-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one

C25H22N10O3 — CID 170326826

IUPAC3-hydroxy-1-methyl-3-[3-[6-[2-[[5-(5-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
SMILESCc1ncnn1-c1ccc(Nc2nccc(-c3cccc(-c4cc(C5(O)CCN(C)C5=O)on4)n3)n2)nc1
InChIInChI=1S/C25H22N10O3/c1-15-28-14-29-35(15)16-6-7-22(27-13-16)32-24-26-10-8-19(31-24)17-4-3-5-18(30-17)20-12-21(38-33-20)25(37)9-11-34(2)23(25)36/h3-8,10,12-14,37H,9,11H2,1-2H3,(H,26,27,31,32)
InChIKeyDBHYFCBBEZIOKV-UHFFFAOYSA-N
MW510.52 g/mol
LogP2.27
Rot. Bonds6

About 3-hydroxy-1-methyl-3-[3-[6-[2-[[5-(5-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one

3-hydroxy-1-methyl-3-[3-[6-[2-[[5-(5-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one (PubChem CID 170326826) has the molecular formula C25H22N10O3 and a molecular weight of 510.52 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-[3-[6-[2-[[5-(5-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-3-[3-[6-[2-[[5-(5-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
PubChem CID170326826
Molecular FormulaC25H22N10O3
Molecular Weight510.52 g/mol
Exact Mass510.19
IUPAC Name3-hydroxy-1-methyl-3-[3-[6-[2-[[5-(5-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
SMILESCc1ncnn1-c1ccc(Nc2nccc(-c3cccc(-c4cc(C5(O)CCN(C)C5=O)on4)n3)n2)nc1
InChIInChI=1S/C25H22N10O3/c1-15-28-14-29-35(15)16-6-7-22(27-13-16)32-24-26-10-8-19(31-24)17-4-3-5-18(30-17)20-12-21(38-33-20)25(37)9-11-34(2)23(25)36/h3-8,10,12-14,37H,9,11H2,1-2H3,(H,26,27,31,32)
InChIKeyDBHYFCBBEZIOKV-UHFFFAOYSA-N
XLogP2.27
TPSA160.87 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.52
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 3-hydroxy-1-methyl-3-[3-[6-[2-[[5-(5-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3-[3-[6-[2-[[5-(5-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 3-hydroxy-1-methyl-3-[3-[6-[2-[[5-(5-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one (CID 170326826) is 3-hydroxy-1-methyl-3-[3-[6-[2-[[5-(5-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-3-[3-[6-[2-[[5-(5-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-3-[3-[6-[2-[[5-(5-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one is Cc1ncnn1-c1ccc(Nc2nccc(-c3cccc(-c4cc(C5(O)CCN(C)C5=O)on4)n3)n2)nc1.
What is the InChIKey of 3-hydroxy-1-methyl-3-[3-[6-[2-[[5-(5-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one?
The InChIKey is DBHYFCBBEZIOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N10O3/c1-15-28-14-29-35(15)16-6-7-22(27-13-16)32-24-26-10-8-19(31-24)17-4-3-5-18(30-17)20-12-21(38-33-20)25(37)9-11-34(2)23(25)36/h3-8,10,12-14,37H,9,11H2,1-2H3,(H,26,27,31,32).
What are the key properties of 3-hydroxy-1-methyl-3-[3-[6-[2-[[5-(5-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one?
3-hydroxy-1-methyl-3-[3-[6-[2-[[5-(5-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one has a molecular weight of 510.52 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-3-[3-[6-[2-[[5-(5-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 170326826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).