[(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone

C24H22N6O2 — CID 162645914

IUPAC[(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1onc(-c2ccccc2)c1-c1ccnc(N[C@@H]2CCN(C(=O)c3cccnc3)C2)n1
InChIInChI=1S/C24H22N6O2/c1-16-21(22(29-32-16)17-6-3-2-4-7-17)20-9-12-26-24(28-20)27-19-10-13-30(15-19)23(31)18-8-5-11-25-14-18/h2-9,11-12,14,19H,10,13,15H2,1H3,(H,26,27,28)/t19-/m1/s1
InChIKeyPMZKCWBQXBBPRP-LJQANCHMSA-N
MW426.48 g/mol
LogP3.83
Rot. Bonds5

About [(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone

[(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 162645914) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is [(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID162645914
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name[(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1onc(-c2ccccc2)c1-c1ccnc(N[C@@H]2CCN(C(=O)c3cccnc3)C2)n1
InChIInChI=1S/C24H22N6O2/c1-16-21(22(29-32-16)17-6-3-2-4-7-17)20-9-12-26-24(28-20)27-19-10-13-30(15-19)23(31)18-8-5-11-25-14-18/h2-9,11-12,14,19H,10,13,15H2,1H3,(H,26,27,28)/t19-/m1/s1
InChIKeyPMZKCWBQXBBPRP-LJQANCHMSA-N
XLogP3.83
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 162645914) is [(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone is Cc1onc(-c2ccccc2)c1-c1ccnc(N[C@@H]2CCN(C(=O)c3cccnc3)C2)n1.
What is the InChIKey of [(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is PMZKCWBQXBBPRP-LJQANCHMSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-16-21(22(29-32-16)17-6-3-2-4-7-17)20-9-12-26-24(28-20)27-19-10-13-30(15-19)23(31)18-8-5-11-25-14-18/h2-9,11-12,14,19H,10,13,15H2,1H3,(H,26,27,28)/t19-/m1/s1.
What are the key properties of [(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
[(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 426.48 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 162645914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).