2-(4-hydroxycyclohexyl)-9-[5-(2-oxo-1-pyridinyl)pyrimidin-2-yl]-2,9-diazaspiro[4.5]decan-1-one

C23H29N5O3 — CID 66722612

IUPAC2-(4-hydroxycyclohexyl)-9-[5-(2-oxo-1-pyridinyl)pyrimidin-2-yl]-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCCN(c1ncc(-n3ccccc3=O)cn1)C2
InChIInChI=1S/C23H29N5O3/c29-19-7-5-17(6-8-19)28-13-10-23(21(28)31)9-3-11-26(16-23)22-24-14-18(15-25-22)27-12-2-1-4-20(27)30/h1-2,4,12,14-15,17,19,29H,3,5-11,13,16H2
InChIKeyMZWYAJQBRCXAFP-UHFFFAOYSA-N
MW423.52 g/mol
LogP1.75
Rot. Bonds3

About 2-(4-hydroxycyclohexyl)-9-[5-(2-oxo-1-pyridinyl)pyrimidin-2-yl]-2,9-diazaspiro[4.5]decan-1-one

2-(4-hydroxycyclohexyl)-9-[5-(2-oxo-1-pyridinyl)pyrimidin-2-yl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 66722612) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-9-[5-(2-oxo-1-pyridinyl)pyrimidin-2-yl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-9-[5-(2-oxo-1-pyridinyl)pyrimidin-2-yl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID66722612
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name2-(4-hydroxycyclohexyl)-9-[5-(2-oxo-1-pyridinyl)pyrimidin-2-yl]-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCCN(c1ncc(-n3ccccc3=O)cn1)C2
InChIInChI=1S/C23H29N5O3/c29-19-7-5-17(6-8-19)28-13-10-23(21(28)31)9-3-11-26(16-23)22-24-14-18(15-25-22)27-12-2-1-4-20(27)30/h1-2,4,12,14-15,17,19,29H,3,5-11,13,16H2
InChIKeyMZWYAJQBRCXAFP-UHFFFAOYSA-N
XLogP1.75
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-hydroxycyclohexyl)-9-[5-(2-oxo-1-pyridinyl)pyrimidin-2-yl]-2,9-diazaspiro[4.5]decan-1-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 2-(4-hydroxycyclohexyl)-9-[5-(2-oxo-1-pyridinyl)pyrimidin-2-yl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(4-hydroxycyclohexyl)-9-[5-(2-oxo-1-pyridinyl)pyrimidin-2-yl]-2,9-diazaspiro[4.5]decan-1-one (CID 66722612) is 2-(4-hydroxycyclohexyl)-9-[5-(2-oxo-1-pyridinyl)pyrimidin-2-yl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-9-[5-(2-oxo-1-pyridinyl)pyrimidin-2-yl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-9-[5-(2-oxo-1-pyridinyl)pyrimidin-2-yl]-2,9-diazaspiro[4.5]decan-1-one is O=C1N(C2CCC(O)CC2)CCC12CCCN(c1ncc(-n3ccccc3=O)cn1)C2.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-9-[5-(2-oxo-1-pyridinyl)pyrimidin-2-yl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is MZWYAJQBRCXAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c29-19-7-5-17(6-8-19)28-13-10-23(21(28)31)9-3-11-26(16-23)22-24-14-18(15-25-22)27-12-2-1-4-20(27)30/h1-2,4,12,14-15,17,19,29H,3,5-11,13,16H2.
What are the key properties of 2-(4-hydroxycyclohexyl)-9-[5-(2-oxo-1-pyridinyl)pyrimidin-2-yl]-2,9-diazaspiro[4.5]decan-1-one?
2-(4-hydroxycyclohexyl)-9-[5-(2-oxo-1-pyridinyl)pyrimidin-2-yl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 423.52 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)-9-[5-(2-oxo-1-pyridinyl)pyrimidin-2-yl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 66722612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).