[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone

C22H33N5O — CID 45186776

IUPAC[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCC4(CCCN(CC(C)(C)C)C4)C3)cc2n1
InChIInChI=1S/C22H33N5O/c1-16-11-17(2)27-19(23-16)12-18(24-27)20(28)26-10-8-22(15-26)7-6-9-25(14-22)13-21(3,4)5/h11-12H,6-10,13-15H2,1-5H3
InChIKeyUDKNGRJCEMRJHH-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.32
Rot. Bonds2

About [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone

[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 45186776) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID45186776
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCC4(CCCN(CC(C)(C)C)C4)C3)cc2n1
InChIInChI=1S/C22H33N5O/c1-16-11-17(2)27-19(23-16)12-18(24-27)20(28)26-10-8-22(15-26)7-6-9-25(14-22)13-21(3,4)5/h11-12H,6-10,13-15H2,1-5H3
InChIKeyUDKNGRJCEMRJHH-UHFFFAOYSA-N
XLogP3.32
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone (CID 45186776) is [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone is Cc1cc(C)n2nc(C(=O)N3CCC4(CCCN(CC(C)(C)C)C4)C3)cc2n1.
What is the InChIKey of [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is UDKNGRJCEMRJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-16-11-17(2)27-19(23-16)12-18(24-27)20(28)26-10-8-22(15-26)7-6-9-25(14-22)13-21(3,4)5/h11-12H,6-10,13-15H2,1-5H3.
What are the key properties of [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 383.54 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 45186776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).