5-[2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-1-methyl-6-oxopyrimidin-5-yl]sulfanyl-4-chloro-2-methylindazole-3-carbonitrile

C23H26ClN7OS — CID 165369500

IUPAC5-[2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-1-methyl-6-oxopyrimidin-5-yl]sulfanyl-4-chloro-2-methylindazole-3-carbonitrile
SMILESCn1nc2ccc(Sc3cnc(N4CCC5(CCC[C@H]5N)CC4)n(C)c3=O)c(Cl)c2c1C#N
InChIInChI=1S/C23H26ClN7OS/c1-29-21(32)17(33-16-6-5-14-19(20(16)24)15(12-25)30(2)28-14)13-27-22(29)31-10-8-23(9-11-31)7-3-4-18(23)26/h5-6,13,18H,3-4,7-11,26H2,1-2H3/t18-/m1/s1
InChIKeyGLBOOJNBMYGNCW-GOSISDBHSA-N
MW484.03 g/mol
LogP3.44
Rot. Bonds3

About 5-[2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-1-methyl-6-oxopyrimidin-5-yl]sulfanyl-4-chloro-2-methylindazole-3-carbonitrile

5-[2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-1-methyl-6-oxopyrimidin-5-yl]sulfanyl-4-chloro-2-methylindazole-3-carbonitrile (PubChem CID 165369500) has the molecular formula C23H26ClN7OS and a molecular weight of 484.03 g/mol. Its IUPAC name is 5-[2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-1-methyl-6-oxopyrimidin-5-yl]sulfanyl-4-chloro-2-methylindazole-3-carbonitrile.

Molecular Properties

Compound Name5-[2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-1-methyl-6-oxopyrimidin-5-yl]sulfanyl-4-chloro-2-methylindazole-3-carbonitrile
PubChem CID165369500
Molecular FormulaC23H26ClN7OS
Molecular Weight484.03 g/mol
Exact Mass483.16
IUPAC Name5-[2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-1-methyl-6-oxopyrimidin-5-yl]sulfanyl-4-chloro-2-methylindazole-3-carbonitrile
SMILESCn1nc2ccc(Sc3cnc(N4CCC5(CCC[C@H]5N)CC4)n(C)c3=O)c(Cl)c2c1C#N
InChIInChI=1S/C23H26ClN7OS/c1-29-21(32)17(33-16-6-5-14-19(20(16)24)15(12-25)30(2)28-14)13-27-22(29)31-10-8-23(9-11-31)7-3-4-18(23)26/h5-6,13,18H,3-4,7-11,26H2,1-2H3/t18-/m1/s1
InChIKeyGLBOOJNBMYGNCW-GOSISDBHSA-N
XLogP3.44
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.03
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-1-methyl-6-oxopyrimidin-5-yl]sulfanyl-4-chloro-2-methylindazole-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-1-methyl-6-oxopyrimidin-5-yl]sulfanyl-4-chloro-2-methylindazole-3-carbonitrile?
The IUPAC name of 5-[2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-1-methyl-6-oxopyrimidin-5-yl]sulfanyl-4-chloro-2-methylindazole-3-carbonitrile (CID 165369500) is 5-[2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-1-methyl-6-oxopyrimidin-5-yl]sulfanyl-4-chloro-2-methylindazole-3-carbonitrile.
What is the SMILES notation for 5-[2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-1-methyl-6-oxopyrimidin-5-yl]sulfanyl-4-chloro-2-methylindazole-3-carbonitrile?
The canonical SMILES for 5-[2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-1-methyl-6-oxopyrimidin-5-yl]sulfanyl-4-chloro-2-methylindazole-3-carbonitrile is Cn1nc2ccc(Sc3cnc(N4CCC5(CCC[C@H]5N)CC4)n(C)c3=O)c(Cl)c2c1C#N.
What is the InChIKey of 5-[2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-1-methyl-6-oxopyrimidin-5-yl]sulfanyl-4-chloro-2-methylindazole-3-carbonitrile?
The InChIKey is GLBOOJNBMYGNCW-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26ClN7OS/c1-29-21(32)17(33-16-6-5-14-19(20(16)24)15(12-25)30(2)28-14)13-27-22(29)31-10-8-23(9-11-31)7-3-4-18(23)26/h5-6,13,18H,3-4,7-11,26H2,1-2H3/t18-/m1/s1.
What are the key properties of 5-[2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-1-methyl-6-oxopyrimidin-5-yl]sulfanyl-4-chloro-2-methylindazole-3-carbonitrile?
5-[2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-1-methyl-6-oxopyrimidin-5-yl]sulfanyl-4-chloro-2-methylindazole-3-carbonitrile has a molecular weight of 484.03 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-1-methyl-6-oxopyrimidin-5-yl]sulfanyl-4-chloro-2-methylindazole-3-carbonitrile is sourced from PubChem (CID 165369500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).