2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(1H-indazol-4-ylsulfanyl)-3-methylpyrimidin-4-one;hydrochloride

C21H27ClN6OS — CID 156805857

IUPAC2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(1H-indazol-4-ylsulfanyl)-3-methylpyrimidin-4-one;hydrochloride
SMILESCl.Cn1c(N2CCC3(CCC[C@H]3N)CC2)ncc(Sc2cccc3[nH]ncc23)c1=O
InChIInChI=1S/C21H26N6OS.ClH/c1-26-19(28)17(29-16-5-2-4-15-14(16)12-24-25-15)13-23-20(26)27-10-8-21(9-11-27)7-3-6-18(21)22;/h2,4-5,12-13,18H,3,6-11,22H2,1H3,(H,24,25);1H/t18-;/m1./s1
InChIKeyWEJXDZFAIAPFRO-GMUIIQOCSA-N
MW447.01 g/mol
LogP3.33
Rot. Bonds3

About 2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(1H-indazol-4-ylsulfanyl)-3-methylpyrimidin-4-one;hydrochloride

2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(1H-indazol-4-ylsulfanyl)-3-methylpyrimidin-4-one;hydrochloride (PubChem CID 156805857) has the molecular formula C21H27ClN6OS and a molecular weight of 447.01 g/mol. Its IUPAC name is 2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(1H-indazol-4-ylsulfanyl)-3-methylpyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(1H-indazol-4-ylsulfanyl)-3-methylpyrimidin-4-one;hydrochloride
PubChem CID156805857
Molecular FormulaC21H27ClN6OS
Molecular Weight447.01 g/mol
Exact Mass446.17
IUPAC Name2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(1H-indazol-4-ylsulfanyl)-3-methylpyrimidin-4-one;hydrochloride
SMILESCl.Cn1c(N2CCC3(CCC[C@H]3N)CC2)ncc(Sc2cccc3[nH]ncc23)c1=O
InChIInChI=1S/C21H26N6OS.ClH/c1-26-19(28)17(29-16-5-2-4-15-14(16)12-24-25-15)13-23-20(26)27-10-8-21(9-11-27)7-3-6-18(21)22;/h2,4-5,12-13,18H,3,6-11,22H2,1H3,(H,24,25);1H/t18-;/m1./s1
InChIKeyWEJXDZFAIAPFRO-GMUIIQOCSA-N
XLogP3.33
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.01
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(1H-indazol-4-ylsulfanyl)-3-methylpyrimidin-4-one;hydrochloride 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-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(1H-indazol-4-ylsulfanyl)-3-methylpyrimidin-4-one;hydrochloride?
The IUPAC name of 2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(1H-indazol-4-ylsulfanyl)-3-methylpyrimidin-4-one;hydrochloride (CID 156805857) is 2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(1H-indazol-4-ylsulfanyl)-3-methylpyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(1H-indazol-4-ylsulfanyl)-3-methylpyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(1H-indazol-4-ylsulfanyl)-3-methylpyrimidin-4-one;hydrochloride is Cl.Cn1c(N2CCC3(CCC[C@H]3N)CC2)ncc(Sc2cccc3[nH]ncc23)c1=O.
What is the InChIKey of 2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(1H-indazol-4-ylsulfanyl)-3-methylpyrimidin-4-one;hydrochloride?
The InChIKey is WEJXDZFAIAPFRO-GMUIIQOCSA-N. The full InChI is InChI=1S/C21H26N6OS.ClH/c1-26-19(28)17(29-16-5-2-4-15-14(16)12-24-25-15)13-23-20(26)27-10-8-21(9-11-27)7-3-6-18(21)22;/h2,4-5,12-13,18H,3,6-11,22H2,1H3,(H,24,25);1H/t18-;/m1./s1.
What are the key properties of 2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(1H-indazol-4-ylsulfanyl)-3-methylpyrimidin-4-one;hydrochloride?
2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(1H-indazol-4-ylsulfanyl)-3-methylpyrimidin-4-one;hydrochloride has a molecular weight of 447.01 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(1H-indazol-4-ylsulfanyl)-3-methylpyrimidin-4-one;hydrochloride is sourced from PubChem (CID 156805857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).