[(3R)-3-[(2-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone

C25H25ClN4O2 — CID 124980291

IUPAC[(3R)-3-[(2-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
SMILESO=C(c1cccc(-c2cncnc2)n1)N1CCC2(CC1)CO[C@@H](Cc1ccccc1Cl)C2
InChIInChI=1S/C25H25ClN4O2/c26-21-5-2-1-4-18(21)12-20-13-25(16-32-20)8-10-30(11-9-25)24(31)23-7-3-6-22(29-23)19-14-27-17-28-15-19/h1-7,14-15,17,20H,8-13,16H2/t20-/m0/s1
InChIKeyMHSAGCGBEJNOMW-FQEVSTJZSA-N
MW448.95 g/mol
LogP4.45
Rot. Bonds4

About [(3R)-3-[(2-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone

[(3R)-3-[(2-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone (PubChem CID 124980291) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is [(3R)-3-[(2-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R)-3-[(2-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
PubChem CID124980291
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC Name[(3R)-3-[(2-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
SMILESO=C(c1cccc(-c2cncnc2)n1)N1CCC2(CC1)CO[C@@H](Cc1ccccc1Cl)C2
InChIInChI=1S/C25H25ClN4O2/c26-21-5-2-1-4-18(21)12-20-13-25(16-32-20)8-10-30(11-9-25)24(31)23-7-3-6-22(29-23)19-14-27-17-28-15-19/h1-7,14-15,17,20H,8-13,16H2/t20-/m0/s1
InChIKeyMHSAGCGBEJNOMW-FQEVSTJZSA-N
XLogP4.45
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-[(2-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(6-pyrimidin-5-yl-2-pyridinyl)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 [(3R)-3-[(2-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?
The IUPAC name of [(3R)-3-[(2-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone (CID 124980291) is [(3R)-3-[(2-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone.
What is the SMILES notation for [(3R)-3-[(2-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?
The canonical SMILES for [(3R)-3-[(2-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone is O=C(c1cccc(-c2cncnc2)n1)N1CCC2(CC1)CO[C@@H](Cc1ccccc1Cl)C2.
What is the InChIKey of [(3R)-3-[(2-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?
The InChIKey is MHSAGCGBEJNOMW-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c26-21-5-2-1-4-18(21)12-20-13-25(16-32-20)8-10-30(11-9-25)24(31)23-7-3-6-22(29-23)19-14-27-17-28-15-19/h1-7,14-15,17,20H,8-13,16H2/t20-/m0/s1.
What are the key properties of [(3R)-3-[(2-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?
[(3R)-3-[(2-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone has a molecular weight of 448.95 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(2-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone is sourced from PubChem (CID 124980291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).