(5R)-2-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one

C22H29N5O2 — CID 126446329

IUPAC(5R)-2-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(N)n(CC(=O)N2CC[C@]3(CCCN(CCc4ccccc4)C3=O)C2)n1
InChIInChI=1S/C22H29N5O2/c1-17-14-19(23)27(24-17)15-20(28)26-13-10-22(16-26)9-5-11-25(21(22)29)12-8-18-6-3-2-4-7-18/h2-4,6-7,14H,5,8-13,15-16,23H2,1H3/t22-/m1/s1
InChIKeyWMLNHJPQVQGRGP-JOCHJYFZSA-N
MW395.51 g/mol
LogP1.86
Rot. Bonds5

About (5R)-2-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 126446329) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is (5R)-2-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID126446329
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name(5R)-2-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(N)n(CC(=O)N2CC[C@]3(CCCN(CCc4ccccc4)C3=O)C2)n1
InChIInChI=1S/C22H29N5O2/c1-17-14-19(23)27(24-17)15-20(28)26-13-10-22(16-26)9-5-11-25(21(22)29)12-8-18-6-3-2-4-7-18/h2-4,6-7,14H,5,8-13,15-16,23H2,1H3/t22-/m1/s1
InChIKeyWMLNHJPQVQGRGP-JOCHJYFZSA-N
XLogP1.86
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119069763
4-methyl-2-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]phthalazin-1-one
CID 97140833
7-(2-phenylethyl)-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56904394
2-(4-methyl-1,3-oxazole-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45179648
2-(cyclobutanecarbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45238173
(5S)-7-(3-phenylpropyl)-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42197713
(5R)-2-[2-(benzotriazol-2-yl)acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95722632
4-methyl-2-[2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]phthalazin-1-one
CID 97137178
(5S)-2-(cyclopentanecarbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25456250
(5S)-2-(1-oxidopyridin-1-ium-4-carbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42357494
7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45169920
(5S)-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126438724

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 126446329) is (5R)-2-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cc(N)n(CC(=O)N2CC[C@]3(CCCN(CCc4ccccc4)C3=O)C2)n1.
What is the InChIKey of (5R)-2-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is WMLNHJPQVQGRGP-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-17-14-19(23)27(24-17)15-20(28)26-13-10-22(16-26)9-5-11-25(21(22)29)12-8-18-6-3-2-4-7-18/h2-4,6-7,14H,5,8-13,15-16,23H2,1H3/t22-/m1/s1.
What are the key properties of (5R)-2-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 395.51 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 126446329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).