2-(2,9-diazaspiro[4.5]decan-2-yl)-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxypyrimidine-5-carboxamide

C23H30N8O2 — CID 177108640

IUPAC2-(2,9-diazaspiro[4.5]decan-2-yl)-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxypyrimidine-5-carboxamide
SMILESCCOc1nc(N2CCC3(CCCNC3)C2)ncc1C(=O)Nc1cn2cc(C)nc2c(C)n1
InChIInChI=1S/C23H30N8O2/c1-4-33-21-17(20(32)28-18-12-31-11-15(2)26-19(31)16(3)27-18)10-25-22(29-21)30-9-7-23(14-30)6-5-8-24-13-23/h10-12,24H,4-9,13-14H2,1-3H3,(H,28,32)
InChIKeyLPVGQVXLUPQOSR-UHFFFAOYSA-N
MW450.55 g/mol
LogP2.37
Rot. Bonds5

About 2-(2,9-diazaspiro[4.5]decan-2-yl)-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxypyrimidine-5-carboxamide

2-(2,9-diazaspiro[4.5]decan-2-yl)-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxypyrimidine-5-carboxamide (PubChem CID 177108640) has the molecular formula C23H30N8O2 and a molecular weight of 450.55 g/mol. Its IUPAC name is 2-(2,9-diazaspiro[4.5]decan-2-yl)-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,9-diazaspiro[4.5]decan-2-yl)-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxypyrimidine-5-carboxamide
PubChem CID177108640
Molecular FormulaC23H30N8O2
Molecular Weight450.55 g/mol
Exact Mass450.25
IUPAC Name2-(2,9-diazaspiro[4.5]decan-2-yl)-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxypyrimidine-5-carboxamide
SMILESCCOc1nc(N2CCC3(CCCNC3)C2)ncc1C(=O)Nc1cn2cc(C)nc2c(C)n1
InChIInChI=1S/C23H30N8O2/c1-4-33-21-17(20(32)28-18-12-31-11-15(2)26-19(31)16(3)27-18)10-25-22(29-21)30-9-7-23(14-30)6-5-8-24-13-23/h10-12,24H,4-9,13-14H2,1-3H3,(H,28,32)
InChIKeyLPVGQVXLUPQOSR-UHFFFAOYSA-N
XLogP2.37
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(2,9-diazaspiro[4.5]decan-2-yl)-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxypyrimidine-5-carboxamide?
The IUPAC name of 2-(2,9-diazaspiro[4.5]decan-2-yl)-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxypyrimidine-5-carboxamide (CID 177108640) is 2-(2,9-diazaspiro[4.5]decan-2-yl)-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,9-diazaspiro[4.5]decan-2-yl)-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxypyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,9-diazaspiro[4.5]decan-2-yl)-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxypyrimidine-5-carboxamide is CCOc1nc(N2CCC3(CCCNC3)C2)ncc1C(=O)Nc1cn2cc(C)nc2c(C)n1.
What is the InChIKey of 2-(2,9-diazaspiro[4.5]decan-2-yl)-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxypyrimidine-5-carboxamide?
The InChIKey is LPVGQVXLUPQOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O2/c1-4-33-21-17(20(32)28-18-12-31-11-15(2)26-19(31)16(3)27-18)10-25-22(29-21)30-9-7-23(14-30)6-5-8-24-13-23/h10-12,24H,4-9,13-14H2,1-3H3,(H,28,32).
What are the key properties of 2-(2,9-diazaspiro[4.5]decan-2-yl)-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxypyrimidine-5-carboxamide?
2-(2,9-diazaspiro[4.5]decan-2-yl)-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxypyrimidine-5-carboxamide has a molecular weight of 450.55 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,9-diazaspiro[4.5]decan-2-yl)-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxypyrimidine-5-carboxamide is sourced from PubChem (CID 177108640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).