(5R)-9-(5-amino-3-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

C19H27ClN4O2 — CID 67504327

IUPAC(5R)-9-(5-amino-3-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESNc1cnc(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)c(Cl)c1
InChIInChI=1S/C19H27ClN4O2/c20-16-10-13(21)11-22-17(16)23-8-1-6-19(12-23)7-9-24(18(19)26)14-2-4-15(25)5-3-14/h10-11,14-15,25H,1-9,12,21H2/t14?,15?,19-/m1/s1
InChIKeyPJSQFLDVSVSBCL-JFIBYHEFSA-N
MW378.90 g/mol
LogP2.44
Rot. Bonds2

About (5R)-9-(5-amino-3-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

(5R)-9-(5-amino-3-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 67504327) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is (5R)-9-(5-amino-3-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-9-(5-amino-3-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID67504327
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Name(5R)-9-(5-amino-3-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESNc1cnc(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)c(Cl)c1
InChIInChI=1S/C19H27ClN4O2/c20-16-10-13(21)11-22-17(16)23-8-1-6-19(12-23)7-9-24(18(19)26)14-2-4-15(25)5-3-14/h10-11,14-15,25H,1-9,12,21H2/t14?,15?,19-/m1/s1
InChIKeyPJSQFLDVSVSBCL-JFIBYHEFSA-N
XLogP2.44
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5R)-9-(5-amino-3-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-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 (5R)-9-(5-amino-3-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-9-(5-amino-3-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (CID 67504327) is (5R)-9-(5-amino-3-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-9-(5-amino-3-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-9-(5-amino-3-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is Nc1cnc(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)c(Cl)c1.
What is the InChIKey of (5R)-9-(5-amino-3-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is PJSQFLDVSVSBCL-JFIBYHEFSA-N. The full InChI is InChI=1S/C19H27ClN4O2/c20-16-10-13(21)11-22-17(16)23-8-1-6-19(12-23)7-9-24(18(19)26)14-2-4-15(25)5-3-14/h10-11,14-15,25H,1-9,12,21H2/t14?,15?,19-/m1/s1.
What are the key properties of (5R)-9-(5-amino-3-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
(5R)-9-(5-amino-3-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 378.90 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(5-amino-3-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 67504327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).