2-(2-phenylethyl)-7-(tetrazolo[1,5-a]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

C21H22N6O2 — CID 175644842

IUPAC2-(2-phenylethyl)-7-(tetrazolo[1,5-a]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(c1cccc2nnnn12)N1CCC2(CCN(CCc3ccccc3)C2=O)C1
InChIInChI=1S/C21H22N6O2/c28-19(17-7-4-8-18-22-23-24-27(17)18)26-14-11-21(15-26)10-13-25(20(21)29)12-9-16-5-2-1-3-6-16/h1-8H,9-15H2
InChIKeyZKGHSUNNTMHUKH-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.43
Rot. Bonds4

About 2-(2-phenylethyl)-7-(tetrazolo[1,5-a]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

2-(2-phenylethyl)-7-(tetrazolo[1,5-a]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175644842) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-(2-phenylethyl)-7-(tetrazolo[1,5-a]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-(2-phenylethyl)-7-(tetrazolo[1,5-a]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175644842
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name2-(2-phenylethyl)-7-(tetrazolo[1,5-a]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(c1cccc2nnnn12)N1CCC2(CCN(CCc3ccccc3)C2=O)C1
InChIInChI=1S/C21H22N6O2/c28-19(17-7-4-8-18-22-23-24-27(17)18)26-14-11-21(15-26)10-13-25(20(21)29)12-9-16-5-2-1-3-6-16/h1-8H,9-15H2
InChIKeyZKGHSUNNTMHUKH-UHFFFAOYSA-N
XLogP1.43
TPSA83.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641011
2-(2-phenylethyl)-7-[2-(pyridin-3-ylamino)acetyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175641180
2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642991
7-(2-methylquinoline-6-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175646411
2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119069763
2-(cyclobutanecarbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45238173
(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
2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641271
7-[3-fluoro-4-(trifluoromethyl)benzoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175640654
7-(2-phenylethyl)-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56904394
7-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175645790

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-7-(tetrazolo[1,5-a]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-(2-phenylethyl)-7-(tetrazolo[1,5-a]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175644842) is 2-(2-phenylethyl)-7-(tetrazolo[1,5-a]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-(2-phenylethyl)-7-(tetrazolo[1,5-a]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-(2-phenylethyl)-7-(tetrazolo[1,5-a]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is O=C(c1cccc2nnnn12)N1CCC2(CCN(CCc3ccccc3)C2=O)C1.
What is the InChIKey of 2-(2-phenylethyl)-7-(tetrazolo[1,5-a]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is ZKGHSUNNTMHUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c28-19(17-7-4-8-18-22-23-24-27(17)18)26-14-11-21(15-26)10-13-25(20(21)29)12-9-16-5-2-1-3-6-16/h1-8H,9-15H2.
What are the key properties of 2-(2-phenylethyl)-7-(tetrazolo[1,5-a]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
2-(2-phenylethyl)-7-(tetrazolo[1,5-a]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 390.45 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-7-(tetrazolo[1,5-a]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175644842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).