2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C22H28N4O — CID 70706816

IUPAC2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(Cc3cccc(-n4cccn4)c3)C2)CN1C1CC1
InChIInChI=1S/C22H28N4O/c27-21-8-10-22(17-25(21)19-6-7-19)9-2-12-24(16-22)15-18-4-1-5-20(14-18)26-13-3-11-23-26/h1,3-5,11,13-14,19H,2,6-10,12,15-17H2
InChIKeyUJFDLRKSYRZHKW-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.24
Rot. Bonds4

About 2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70706816) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70706816
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(Cc3cccc(-n4cccn4)c3)C2)CN1C1CC1
InChIInChI=1S/C22H28N4O/c27-21-8-10-22(17-25(21)19-6-7-19)9-2-12-24(16-22)15-18-4-1-5-20(14-18)26-13-3-11-23-26/h1,3-5,11,13-14,19H,2,6-10,12,15-17H2
InChIKeyUJFDLRKSYRZHKW-UHFFFAOYSA-N
XLogP3.24
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-8-[(3-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70749704
2-[(3-pyrazol-1-ylphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane
CID 74242185
2-(2-hydroxyethyl)-8-[(4-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70741090
1,10-dimethyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72845317
(6S)-2-cyclopropyl-8-[(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97154265
2-cyclopropyl-8-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70766870
1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane
CID 70735219
9-[[3-(2-aminoethyl)phenyl]methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 70717744
8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
CID 72908060
2-cyclopropyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70753916
4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine
CID 56913035
3-methyl-8-[(3-pyrazol-1-ylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729618

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70706816) is 2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(Cc3cccc(-n4cccn4)c3)C2)CN1C1CC1.
What is the InChIKey of 2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is UJFDLRKSYRZHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c27-21-8-10-22(17-25(21)19-6-7-19)9-2-12-24(16-22)15-18-4-1-5-20(14-18)26-13-3-11-23-26/h1,3-5,11,13-14,19H,2,6-10,12,15-17H2.
What are the key properties of 2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 364.49 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70706816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).