2-[(2-methylpyrazol-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide

C19H26N4OS — CID 131642758

IUPAC2-[(2-methylpyrazol-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCn1nccc1CN1CCC2(CCCC2C(=O)NCc2cccs2)C1
InChIInChI=1S/C19H26N4OS/c1-22-15(6-9-21-22)13-23-10-8-19(14-23)7-2-5-17(19)18(24)20-12-16-4-3-11-25-16/h3-4,6,9,11,17H,2,5,7-8,10,12-14H2,1H3,(H,20,24)
InChIKeyJUECDKHBCCORPG-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.79
Rot. Bonds5

About 2-[(2-methylpyrazol-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide

2-[(2-methylpyrazol-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide (PubChem CID 131642758) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-[(2-methylpyrazol-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide.

Molecular Properties

Compound Name2-[(2-methylpyrazol-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
PubChem CID131642758
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name2-[(2-methylpyrazol-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCn1nccc1CN1CCC2(CCCC2C(=O)NCc2cccs2)C1
InChIInChI=1S/C19H26N4OS/c1-22-15(6-9-21-22)13-23-10-8-19(14-23)7-2-5-17(19)18(24)20-12-16-4-3-11-25-16/h3-4,6,9,11,17H,2,5,7-8,10,12-14H2,1H3,(H,20,24)
InChIKeyJUECDKHBCCORPG-UHFFFAOYSA-N
XLogP2.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R,9R)-2-[(3-methylimidazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98897797
(5R,9S)-2-[(3-methylimidazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98897798
(3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 98896562
(3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 98896563
[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98897335
(2S,3R)-5-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97493408
(5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895982
(2S,3S)-5-N,5-N-dimethyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97493385
(4S)-2-(pyridine-4-carbonyl)-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 95107023
(2R,3S)-5-(cyclopentanecarbonyl)-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493399
(2S)-6-[(4-acetamidophenyl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 25295241
N-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 131663959

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrazol-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The IUPAC name of 2-[(2-methylpyrazol-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide (CID 131642758) is 2-[(2-methylpyrazol-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide.
What is the SMILES notation for 2-[(2-methylpyrazol-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The canonical SMILES for 2-[(2-methylpyrazol-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide is Cn1nccc1CN1CCC2(CCCC2C(=O)NCc2cccs2)C1.
What is the InChIKey of 2-[(2-methylpyrazol-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The InChIKey is JUECDKHBCCORPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-22-15(6-9-21-22)13-23-10-8-19(14-23)7-2-5-17(19)18(24)20-12-16-4-3-11-25-16/h3-4,6,9,11,17H,2,5,7-8,10,12-14H2,1H3,(H,20,24).
What are the key properties of 2-[(2-methylpyrazol-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide?
2-[(2-methylpyrazol-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrazol-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide is sourced from PubChem (CID 131642758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).