[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone

C15H21N5O — CID 95207652

IUPAC[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
SMILESCn1ccn2ncc(C(=O)N3CC[C@]4(CCCNC4)C3)c12
InChIInChI=1S/C15H21N5O/c1-18-7-8-20-13(18)12(9-17-20)14(21)19-6-4-15(11-19)3-2-5-16-10-15/h7-9,16H,2-6,10-11H2,1H3/t15-/m0/s1
InChIKeyPEKANCZZYAOOFB-HNNXBMFYSA-N
MW287.37 g/mol
LogP0.89
Rot. Bonds1

About [(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone

[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone (PubChem CID 95207652) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is [(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone.

Molecular Properties

Compound Name[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
PubChem CID95207652
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
SMILESCn1ccn2ncc(C(=O)N3CC[C@]4(CCCNC4)C3)c12
InChIInChI=1S/C15H21N5O/c1-18-7-8-20-13(18)12(9-17-20)14(21)19-6-4-15(11-19)3-2-5-16-10-15/h7-9,16H,2-6,10-11H2,1H3/t15-/m0/s1
InChIKeyPEKANCZZYAOOFB-HNNXBMFYSA-N
XLogP0.89
TPSA54.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
The IUPAC name of [(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone (CID 95207652) is [(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone.
What is the SMILES notation for [(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
The canonical SMILES for [(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone is Cn1ccn2ncc(C(=O)N3CC[C@]4(CCCNC4)C3)c12.
What is the InChIKey of [(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
The InChIKey is PEKANCZZYAOOFB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-18-7-8-20-13(18)12(9-17-20)14(21)19-6-4-15(11-19)3-2-5-16-10-15/h7-9,16H,2-6,10-11H2,1H3/t15-/m0/s1.
What are the key properties of [(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone has a molecular weight of 287.37 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone is sourced from PubChem (CID 95207652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).