1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]methanone

C24H29N5O3S — CID 53123168

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]methanone
SMILESCc1nn(-c2ccccc2)c2nc(N3CCCC(C(=O)N4CCC5(CC4)OCCO5)C3)sc12
InChIInChI=1S/C24H29N5O3S/c1-17-20-21(29(26-17)19-7-3-2-4-8-19)25-23(33-20)28-11-5-6-18(16-28)22(30)27-12-9-24(10-13-27)31-14-15-32-24/h2-4,7-8,18H,5-6,9-16H2,1H3
InChIKeyPEEAVOOGQYSFER-UHFFFAOYSA-N
MW467.60 g/mol
LogP3.37
Rot. Bonds3

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]methanone (PubChem CID 53123168) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]methanone
PubChem CID53123168
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]methanone
SMILESCc1nn(-c2ccccc2)c2nc(N3CCCC(C(=O)N4CCC5(CC4)OCCO5)C3)sc12
InChIInChI=1S/C24H29N5O3S/c1-17-20-21(29(26-17)19-7-3-2-4-8-19)25-23(33-20)28-11-5-6-18(16-28)22(30)27-12-9-24(10-13-27)31-14-15-32-24/h2-4,7-8,18H,5-6,9-16H2,1H3
InChIKeyPEEAVOOGQYSFER-UHFFFAOYSA-N
XLogP3.37
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)piperidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20920543
(3S)-N-[(4-methylphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide
CID 95090887
cyclopentyl-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone
CID 53197298
[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 72925067
1-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]ethanone
CID 53197358
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanone
CID 3239667
(3R)-N-cycloheptyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090712
(3S)-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 95090613
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide
CID 95090939
1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-cyclopentylpiperidine-3-carboxamide
CID 53123033
(3R)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95113658
N-cyclohexyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123213

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]methanone (CID 53123168) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]methanone is Cc1nn(-c2ccccc2)c2nc(N3CCCC(C(=O)N4CCC5(CC4)OCCO5)C3)sc12.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]methanone?
The InChIKey is PEEAVOOGQYSFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-17-20-21(29(26-17)19-7-3-2-4-8-19)25-23(33-20)28-11-5-6-18(16-28)22(30)27-12-9-24(10-13-27)31-14-15-32-24/h2-4,7-8,18H,5-6,9-16H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]methanone has a molecular weight of 467.60 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 53123168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).