[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone

C25H31Cl2N5O2 — CID 139309803

IUPAC[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)c(C(=O)N2CC(C)(O)C2)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C25H31Cl2N5O2/c1-15-20(16-5-3-6-17(26)19(16)27)30-21(23(33)32-13-24(2,34)14-32)22(29-15)31-11-9-25(10-12-31)8-4-7-18(25)28/h3,5-6,18,34H,4,7-14,28H2,1-2H3/t18-/m1/s1
InChIKeyFMUWQLTXWPRQJF-GOSISDBHSA-N
MW504.46 g/mol
LogP4.06
Rot. Bonds3

About [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone

[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone (PubChem CID 139309803) has the molecular formula C25H31Cl2N5O2 and a molecular weight of 504.46 g/mol. Its IUPAC name is [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
PubChem CID139309803
Molecular FormulaC25H31Cl2N5O2
Molecular Weight504.46 g/mol
Exact Mass503.19
IUPAC Name[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)c(C(=O)N2CC(C)(O)C2)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C25H31Cl2N5O2/c1-15-20(16-5-3-6-17(26)19(16)27)30-21(23(33)32-13-24(2,34)14-32)22(29-15)31-11-9-25(10-12-31)8-4-7-18(25)28/h3,5-6,18,34H,4,7-14,28H2,1-2H3/t18-/m1/s1
InChIKeyFMUWQLTXWPRQJF-GOSISDBHSA-N
XLogP4.06
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The IUPAC name of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone (CID 139309803) is [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone.
What is the SMILES notation for [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The canonical SMILES for [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone is Cc1nc(N2CCC3(CCC[C@H]3N)CC2)c(C(=O)N2CC(C)(O)C2)nc1-c1cccc(Cl)c1Cl.
What is the InChIKey of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The InChIKey is FMUWQLTXWPRQJF-GOSISDBHSA-N. The full InChI is InChI=1S/C25H31Cl2N5O2/c1-15-20(16-5-3-6-17(26)19(16)27)30-21(23(33)32-13-24(2,34)14-32)22(29-15)31-11-9-25(10-12-31)8-4-7-18(25)28/h3,5-6,18,34H,4,7-14,28H2,1-2H3/t18-/m1/s1.
What are the key properties of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone?
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone has a molecular weight of 504.46 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 139309803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).