9-(2-pyrazol-1-ylpropanoyl)-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one

C22H29N5O2 — CID 72859036

IUPAC9-(2-pyrazol-1-ylpropanoyl)-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C(=O)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1)n1cccn1
InChIInChI=1S/C22H29N5O2/c1-18(27-13-4-12-24-27)21(29)25-15-9-22(10-16-25)8-6-20(28)26(17-22)14-7-19-5-2-3-11-23-19/h2-5,11-13,18H,6-10,14-17H2,1H3
InChIKeyVQTLATXQEACVSM-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.31
Rot. Bonds5

About 9-(2-pyrazol-1-ylpropanoyl)-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(2-pyrazol-1-ylpropanoyl)-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72859036) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 9-(2-pyrazol-1-ylpropanoyl)-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-pyrazol-1-ylpropanoyl)-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72859036
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name9-(2-pyrazol-1-ylpropanoyl)-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C(=O)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1)n1cccn1
InChIInChI=1S/C22H29N5O2/c1-18(27-13-4-12-24-27)21(29)25-15-9-22(10-16-25)8-6-20(28)26(17-22)14-7-19-5-2-3-11-23-19/h2-5,11-13,18H,6-10,14-17H2,1H3
InChIKeyVQTLATXQEACVSM-UHFFFAOYSA-N
XLogP2.31
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[(2S)-2-hydroxy-4-methylpentanoyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97118574
2-(2-hydroxyethyl)-9-(2-pyrazol-1-ylbutanoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72846712
9-(3-aminothiophene-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72892555
9-[2-(5-methyl-1H-1,2,4-triazol-3-yl)acetyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72841227
2-[2-(dimethylamino)ethyl]-9-[(2S)-2-pyrazol-1-ylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97112348
9-[3-(2-methylimidazol-1-yl)propanoyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72842590
(6S)-8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97113531
6-[3-oxo-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid
CID 72862263
9-[(3-ethylimidazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70767429
2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97119810
9-[(2S)-2-pyrazol-1-ylbutanoyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97134429
9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72890903

Frequently Asked Questions

What is the IUPAC name of 9-(2-pyrazol-1-ylpropanoyl)-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-pyrazol-1-ylpropanoyl)-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72859036) is 9-(2-pyrazol-1-ylpropanoyl)-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-pyrazol-1-ylpropanoyl)-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-pyrazol-1-ylpropanoyl)-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one is CC(C(=O)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1)n1cccn1.
What is the InChIKey of 9-(2-pyrazol-1-ylpropanoyl)-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is VQTLATXQEACVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-18(27-13-4-12-24-27)21(29)25-15-9-22(10-16-25)8-6-20(28)26(17-22)14-7-19-5-2-3-11-23-19/h2-5,11-13,18H,6-10,14-17H2,1H3.
What are the key properties of 9-(2-pyrazol-1-ylpropanoyl)-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(2-pyrazol-1-ylpropanoyl)-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 395.51 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-pyrazol-1-ylpropanoyl)-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72859036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).