[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone

C23H33N5O — CID 42528798

IUPAC[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
SMILESO=C(c1cn2cccnc2n1)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2)C1
InChIInChI=1S/C23H33N5O/c29-21(20-16-27-13-5-11-24-22(27)25-20)28-15-10-23(18-28)9-4-12-26(17-23)14-8-19-6-2-1-3-7-19/h5,11,13,16,19H,1-4,6-10,12,14-15,17-18H2/t23-/m1/s1
InChIKeyWJGRFKBVQGPNCJ-HSZRJFAPSA-N
MW395.55 g/mol
LogP3.63
Rot. Bonds4

About [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone

[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone (PubChem CID 42528798) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
PubChem CID42528798
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
SMILESO=C(c1cn2cccnc2n1)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2)C1
InChIInChI=1S/C23H33N5O/c29-21(20-16-27-13-5-11-24-22(27)25-20)28-15-10-23(18-28)9-4-12-26(17-23)14-8-19-6-2-1-3-7-19/h5,11,13,16,19H,1-4,6-10,12,14-15,17-18H2/t23-/m1/s1
InChIKeyWJGRFKBVQGPNCJ-HSZRJFAPSA-N
XLogP3.63
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The IUPAC name of [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone (CID 42528798) is [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The canonical SMILES for [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone is O=C(c1cn2cccnc2n1)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2)C1.
What is the InChIKey of [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The InChIKey is WJGRFKBVQGPNCJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H33N5O/c29-21(20-16-27-13-5-11-24-22(27)25-20)28-15-10-23(18-28)9-4-12-26(17-23)14-8-19-6-2-1-3-7-19/h5,11,13,16,19H,1-4,6-10,12,14-15,17-18H2/t23-/m1/s1.
What are the key properties of [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone has a molecular weight of 395.55 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 42528798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).