8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one

C20H29N5O2 — CID 72896504

IUPAC8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1cc2nc(CN3CCC4(CC3)CC(=O)N(CC(C)C)C4)cc(=O)n2[nH]1
InChIInChI=1S/C20H29N5O2/c1-14(2)11-24-13-20(10-19(24)27)4-6-23(7-5-20)12-16-9-18(26)25-17(21-16)8-15(3)22-25/h8-9,14,22H,4-7,10-13H2,1-3H3
InChIKeyNJMDIMBMJRAZKX-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.80
Rot. Bonds4

About 8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one

8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72896504) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72896504
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1cc2nc(CN3CCC4(CC3)CC(=O)N(CC(C)C)C4)cc(=O)n2[nH]1
InChIInChI=1S/C20H29N5O2/c1-14(2)11-24-13-20(10-19(24)27)4-6-23(7-5-20)12-16-9-18(26)25-17(21-16)8-15(3)22-25/h8-9,14,22H,4-7,10-13H2,1-3H3
InChIKeyNJMDIMBMJRAZKX-UHFFFAOYSA-N
XLogP1.80
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72896504) is 8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one is Cc1cc2nc(CN3CCC4(CC3)CC(=O)N(CC(C)C)C4)cc(=O)n2[nH]1.
What is the InChIKey of 8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is NJMDIMBMJRAZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-14(2)11-24-13-20(10-19(24)27)4-6-23(7-5-20)12-16-9-18(26)25-17(21-16)8-15(3)22-25/h8-9,14,22H,4-7,10-13H2,1-3H3.
What are the key properties of 8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 371.49 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72896504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).