[(2R,5R)-2-methyl-5-[(4-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone

C25H28N4O3 — CID 78325002

IUPAC[(2R,5R)-2-methyl-5-[(4-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
SMILESCC(C)Oc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-c3ncccn3)C2)c1
InChIInChI=1S/C25H28N4O3/c1-17(2)31-19-11-14-26-23(15-19)32-20-10-9-18(3)29(16-20)25(30)22-8-5-4-7-21(22)24-27-12-6-13-28-24/h4-8,11-15,17-18,20H,9-10,16H2,1-3H3/t18-,20-/m1/s1
InChIKeyPFWJKBXMJQXBJD-UYAOXDASSA-N
MW432.52 g/mol
LogP4.40
Rot. Bonds6

About [(2R,5R)-2-methyl-5-[(4-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone

[(2R,5R)-2-methyl-5-[(4-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone (PubChem CID 78325002) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is [(2R,5R)-2-methyl-5-[(4-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[(2R,5R)-2-methyl-5-[(4-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
PubChem CID78325002
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name[(2R,5R)-2-methyl-5-[(4-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
SMILESCC(C)Oc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-c3ncccn3)C2)c1
InChIInChI=1S/C25H28N4O3/c1-17(2)31-19-11-14-26-23(15-19)32-20-10-9-18(3)29(16-20)25(30)22-8-5-4-7-21(22)24-27-12-6-13-28-24/h4-8,11-15,17-18,20H,9-10,16H2,1-3H3/t18-,20-/m1/s1
InChIKeyPFWJKBXMJQXBJD-UYAOXDASSA-N
XLogP4.40
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,5R)-2-methyl-5-[(4-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone 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 [(2R,5R)-2-methyl-5-[(4-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone?
The IUPAC name of [(2R,5R)-2-methyl-5-[(4-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone (CID 78325002) is [(2R,5R)-2-methyl-5-[(4-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone.
What is the SMILES notation for [(2R,5R)-2-methyl-5-[(4-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone?
The canonical SMILES for [(2R,5R)-2-methyl-5-[(4-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone is CC(C)Oc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-c3ncccn3)C2)c1.
What is the InChIKey of [(2R,5R)-2-methyl-5-[(4-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone?
The InChIKey is PFWJKBXMJQXBJD-UYAOXDASSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-17(2)31-19-11-14-26-23(15-19)32-20-10-9-18(3)29(16-20)25(30)22-8-5-4-7-21(22)24-27-12-6-13-28-24/h4-8,11-15,17-18,20H,9-10,16H2,1-3H3/t18-,20-/m1/s1.
What are the key properties of [(2R,5R)-2-methyl-5-[(4-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone?
[(2R,5R)-2-methyl-5-[(4-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone has a molecular weight of 432.52 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2-methyl-5-[(4-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone is sourced from PubChem (CID 78325002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).