4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-indole-2,3-dione

C23H24N6O2S — CID 139427318

IUPAC4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-indole-2,3-dione
SMILESN[C@@H]1CCCC12CCN(c1ncc(Sc3cccc4c3C(=O)C(=O)N4)c3nccn13)CC2
InChIInChI=1S/C23H24N6O2S/c24-17-5-2-6-23(17)7-10-28(11-8-23)22-26-13-16(20-25-9-12-29(20)22)32-15-4-1-3-14-18(15)19(30)21(31)27-14/h1,3-4,9,12-13,17H,2,5-8,10-11,24H2,(H,27,30,31)/t17-/m1/s1
InChIKeyHVHHWYFINUCVHQ-QGZVFWFLSA-N
MW448.55 g/mol
LogP3.11
Rot. Bonds3

About 4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-indole-2,3-dione

4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-indole-2,3-dione (PubChem CID 139427318) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is 4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-indole-2,3-dione
PubChem CID139427318
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC Name4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-indole-2,3-dione
SMILESN[C@@H]1CCCC12CCN(c1ncc(Sc3cccc4c3C(=O)C(=O)N4)c3nccn13)CC2
InChIInChI=1S/C23H24N6O2S/c24-17-5-2-6-23(17)7-10-28(11-8-23)22-26-13-16(20-25-9-12-29(20)22)32-15-4-1-3-14-18(15)19(30)21(31)27-14/h1,3-4,9,12-13,17H,2,5-8,10-11,24H2,(H,27,30,31)/t17-/m1/s1
InChIKeyHVHHWYFINUCVHQ-QGZVFWFLSA-N
XLogP3.11
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-indole-2,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-indole-2,3-dione?
The IUPAC name of 4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-indole-2,3-dione (CID 139427318) is 4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-indole-2,3-dione.
What is the SMILES notation for 4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-indole-2,3-dione?
The canonical SMILES for 4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-indole-2,3-dione is N[C@@H]1CCCC12CCN(c1ncc(Sc3cccc4c3C(=O)C(=O)N4)c3nccn13)CC2.
What is the InChIKey of 4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-indole-2,3-dione?
The InChIKey is HVHHWYFINUCVHQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24N6O2S/c24-17-5-2-6-23(17)7-10-28(11-8-23)22-26-13-16(20-25-9-12-29(20)22)32-15-4-1-3-14-18(15)19(30)21(31)27-14/h1,3-4,9,12-13,17H,2,5-8,10-11,24H2,(H,27,30,31)/t17-/m1/s1.
What are the key properties of 4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-indole-2,3-dione?
4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-indole-2,3-dione has a molecular weight of 448.55 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-1H-indole-2,3-dione is sourced from PubChem (CID 139427318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).