(2,5-dimethylpyrazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone

C20H29N5OS — CID 155879286

IUPAC(2,5-dimethylpyrazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone
SMILESCc1cc(C(=O)N2CCCC3(CCCN(Cc4csc(C)n4)C3)C2)n(C)n1
InChIInChI=1S/C20H29N5OS/c1-15-10-18(23(3)22-15)19(26)25-9-5-7-20(14-25)6-4-8-24(13-20)11-17-12-27-16(2)21-17/h10,12H,4-9,11,13-14H2,1-3H3
InChIKeyCPCQCTFSEFERKK-UHFFFAOYSA-N
MW387.55 g/mol
LogP3.01
Rot. Bonds3

About (2,5-dimethylpyrazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone

(2,5-dimethylpyrazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone (PubChem CID 155879286) has the molecular formula C20H29N5OS and a molecular weight of 387.55 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone
PubChem CID155879286
Molecular FormulaC20H29N5OS
Molecular Weight387.55 g/mol
Exact Mass387.21
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone
SMILESCc1cc(C(=O)N2CCCC3(CCCN(Cc4csc(C)n4)C3)C2)n(C)n1
InChIInChI=1S/C20H29N5OS/c1-15-10-18(23(3)22-15)19(26)25-9-5-7-20(14-25)6-4-8-24(13-20)11-17-12-27-16(2)21-17/h10,12H,4-9,11,13-14H2,1-3H3
InChIKeyCPCQCTFSEFERKK-UHFFFAOYSA-N
XLogP3.01
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,5-dimethylpyrazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone with MolForge

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Related Compounds

(5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 97482586
[(3aR,8aS)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-2-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 155877378
furan-2-yl-[(5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97483709
furan-2-yl-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 131649165
(6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 97494944
1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97494995
(1-methylpyrrol-2-yl)-[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155856719
2-(dimethylamino)-1-[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]ethanone
CID 97472556
(1,5-dimethylpyrazol-3-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 86893709
(3-fluorothiophen-2-yl)-[8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 155878144
(2-ethyl-5-methylpyrazol-3-yl)-[(5S)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 25372862
(2-ethylpyrazol-3-yl)-[8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 155878250

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone (CID 155879286) is (2,5-dimethylpyrazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone is Cc1cc(C(=O)N2CCCC3(CCCN(Cc4csc(C)n4)C3)C2)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
The InChIKey is CPCQCTFSEFERKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5OS/c1-15-10-18(23(3)22-15)19(26)25-9-5-7-20(14-25)6-4-8-24(13-20)11-17-12-27-16(2)21-17/h10,12H,4-9,11,13-14H2,1-3H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone has a molecular weight of 387.55 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone is sourced from PubChem (CID 155879286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).