(3R)-3-[3-[6-[2-[[cyclopropyl(pyridin-2-yl)methyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one

C26H25N7O3 — CID 170381136

IUPAC(3R)-3-[3-[6-[2-[[cyclopropyl(pyridin-2-yl)methyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CC[C@@](O)(c2cc(-c3cccc(-c4ccnc(NC(c5ccccn5)C5CC5)n4)n3)no2)C1=O
InChIInChI=1S/C26H25N7O3/c1-33-14-11-26(35,24(33)34)22-15-21(32-36-22)18-7-4-6-17(29-18)19-10-13-28-25(30-19)31-23(16-8-9-16)20-5-2-3-12-27-20/h2-7,10,12-13,15-16,23,35H,8-9,11,14H2,1H3,(H,28,30,31)/t23?,26-/m1/s1
InChIKeyBRHAYYLKFMGBIV-ANWICMFUSA-N
MW483.53 g/mol
LogP3.20
Rot. Bonds7

About (3R)-3-[3-[6-[2-[[cyclopropyl(pyridin-2-yl)methyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one

(3R)-3-[3-[6-[2-[[cyclopropyl(pyridin-2-yl)methyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 170381136) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is (3R)-3-[3-[6-[2-[[cyclopropyl(pyridin-2-yl)methyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[3-[6-[2-[[cyclopropyl(pyridin-2-yl)methyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID170381136
Molecular FormulaC26H25N7O3
Molecular Weight483.53 g/mol
Exact Mass483.20
IUPAC Name(3R)-3-[3-[6-[2-[[cyclopropyl(pyridin-2-yl)methyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CC[C@@](O)(c2cc(-c3cccc(-c4ccnc(NC(c5ccccn5)C5CC5)n4)n3)no2)C1=O
InChIInChI=1S/C26H25N7O3/c1-33-14-11-26(35,24(33)34)22-15-21(32-36-22)18-7-4-6-17(29-18)19-10-13-28-25(30-19)31-23(16-8-9-16)20-5-2-3-12-27-20/h2-7,10,12-13,15-16,23,35H,8-9,11,14H2,1H3,(H,28,30,31)/t23?,26-/m1/s1
InChIKeyBRHAYYLKFMGBIV-ANWICMFUSA-N
XLogP3.20
TPSA130.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (3R)-3-[3-[6-[2-[[cyclopropyl(pyridin-2-yl)methyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one 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-[3-[6-[2-[[cyclopropyl(pyridin-2-yl)methyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of (3R)-3-[3-[6-[2-[[cyclopropyl(pyridin-2-yl)methyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one (CID 170381136) is (3R)-3-[3-[6-[2-[[cyclopropyl(pyridin-2-yl)methyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[3-[6-[2-[[cyclopropyl(pyridin-2-yl)methyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-[3-[6-[2-[[cyclopropyl(pyridin-2-yl)methyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one is CN1CC[C@@](O)(c2cc(-c3cccc(-c4ccnc(NC(c5ccccn5)C5CC5)n4)n3)no2)C1=O.
What is the InChIKey of (3R)-3-[3-[6-[2-[[cyclopropyl(pyridin-2-yl)methyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is BRHAYYLKFMGBIV-ANWICMFUSA-N. The full InChI is InChI=1S/C26H25N7O3/c1-33-14-11-26(35,24(33)34)22-15-21(32-36-22)18-7-4-6-17(29-18)19-10-13-28-25(30-19)31-23(16-8-9-16)20-5-2-3-12-27-20/h2-7,10,12-13,15-16,23,35H,8-9,11,14H2,1H3,(H,28,30,31)/t23?,26-/m1/s1.
What are the key properties of (3R)-3-[3-[6-[2-[[cyclopropyl(pyridin-2-yl)methyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
(3R)-3-[3-[6-[2-[[cyclopropyl(pyridin-2-yl)methyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 483.53 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-[6-[2-[[cyclopropyl(pyridin-2-yl)methyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 170381136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).