9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one

C23H31N5O — CID 72890903

IUPAC9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3nccn3C3CC3)CC2)CN1CCc1ccccn1
InChIInChI=1S/C23H31N5O/c29-22-6-8-23(18-27(22)13-7-19-3-1-2-11-24-19)9-14-26(15-10-23)17-21-25-12-16-28(21)20-4-5-20/h1-3,11-12,16,20H,4-10,13-15,17-18H2
InChIKeyFFLDTLWCQQZXNK-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.06
Rot. Bonds6

About 9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72890903) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is 9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72890903
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3nccn3C3CC3)CC2)CN1CCc1ccccn1
InChIInChI=1S/C23H31N5O/c29-22-6-8-23(18-27(22)13-7-19-3-1-2-11-24-19)9-14-26(15-10-23)17-21-25-12-16-28(21)20-4-5-20/h1-3,11-12,16,20H,4-10,13-15,17-18H2
InChIKeyFFLDTLWCQQZXNK-UHFFFAOYSA-N
XLogP3.06
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[(3-ethylimidazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70767429
2-[[(2R)-oxolan-2-yl]methyl]-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97127207
9-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72860013
6-[3-oxo-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid
CID 72862263
9-(2-pyrazol-1-ylpropanoyl)-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72859036
9-[[3-(2-aminoethyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70719955
9-[(2S)-2-hydroxy-4-methylpentanoyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97118574
(6S)-2-[2-(dimethylamino)ethyl]-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870785
9-(3-aminothiophene-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72892555
(4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97135359
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
(5R)-2-[(1-methylimidazol-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97450006

Frequently Asked Questions

What is the IUPAC name of 9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72890903) is 9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(Cc3nccn3C3CC3)CC2)CN1CCc1ccccn1.
What is the InChIKey of 9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FFLDTLWCQQZXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c29-22-6-8-23(18-27(22)13-7-19-3-1-2-11-24-19)9-14-26(15-10-23)17-21-25-12-16-28(21)20-4-5-20/h1-3,11-12,16,20H,4-10,13-15,17-18H2.
What are the key properties of 9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 393.54 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-cyclopropylimidazol-2-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72890903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).