2-(2-methoxyethyl)-7-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

C19H24N4O3S — CID 175643729

IUPAC2-(2-methoxyethyl)-7-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CCC2(CCN(C(=O)c3cc(-c4cccs4)nn3C)C2)C1=O
InChIInChI=1S/C19H24N4O3S/c1-21-15(12-14(20-21)16-4-3-11-27-16)17(24)23-8-6-19(13-23)5-7-22(18(19)25)9-10-26-2/h3-4,11-12H,5-10,13H2,1-2H3
InChIKeyNQTSMPAUQHBAKA-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.86
Rot. Bonds5

About 2-(2-methoxyethyl)-7-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

2-(2-methoxyethyl)-7-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175643729) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-7-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-7-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175643729
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name2-(2-methoxyethyl)-7-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CCC2(CCN(C(=O)c3cc(-c4cccs4)nn3C)C2)C1=O
InChIInChI=1S/C19H24N4O3S/c1-21-15(12-14(20-21)16-4-3-11-27-16)17(24)23-8-6-19(13-23)5-7-22(18(19)25)9-10-26-2/h3-4,11-12H,5-10,13H2,1-2H3
InChIKeyNQTSMPAUQHBAKA-UHFFFAOYSA-N
XLogP1.86
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131638498
(5R)-2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97489862
(5R)-2-(3-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42119648
(5R)-2-(2-methoxyethyl)-9-(thiophene-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897395
2-(2-methoxyethyl)-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449747
7-(4-chloro-2-fluorobenzoyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642055
7-(2-chloro-5-fluorobenzoyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175643787
(5S)-2-(2H-benzotriazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97116173
(4aS,8aS)-1-methyl-7-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 135092501
7-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175646330
2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175643015
(5R)-2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127055

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-7-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-(2-methoxyethyl)-7-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175643729) is 2-(2-methoxyethyl)-7-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-(2-methoxyethyl)-7-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-(2-methoxyethyl)-7-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is COCCN1CCC2(CCN(C(=O)c3cc(-c4cccs4)nn3C)C2)C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-7-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is NQTSMPAUQHBAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-21-15(12-14(20-21)16-4-3-11-27-16)17(24)23-8-6-19(13-23)5-7-22(18(19)25)9-10-26-2/h3-4,11-12H,5-10,13H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-7-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
2-(2-methoxyethyl)-7-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 388.49 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-7-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175643729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).