[2-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone

C23H27N5O2S2 — CID 3590270

IUPAC[2-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone
SMILESCc1ccc(C(=O)N2CCSC2)c(C2CCN(C(=O)c3cc4c(C)nn(C)c4s3)CC2)n1
InChIInChI=1S/C23H27N5O2S2/c1-14-4-5-17(21(29)28-10-11-31-13-28)20(24-14)16-6-8-27(9-7-16)22(30)19-12-18-15(2)25-26(3)23(18)32-19/h4-5,12,16H,6-11,13H2,1-3H3
InChIKeyXDDCWKAMWIQSIW-UHFFFAOYSA-N
MW469.64 g/mol
LogP3.81
Rot. Bonds3

About [2-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone

[2-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone (PubChem CID 3590270) has the molecular formula C23H27N5O2S2 and a molecular weight of 469.64 g/mol. Its IUPAC name is [2-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name[2-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone
PubChem CID3590270
Molecular FormulaC23H27N5O2S2
Molecular Weight469.64 g/mol
Exact Mass469.16
IUPAC Name[2-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone
SMILESCc1ccc(C(=O)N2CCSC2)c(C2CCN(C(=O)c3cc4c(C)nn(C)c4s3)CC2)n1
InChIInChI=1S/C23H27N5O2S2/c1-14-4-5-17(21(29)28-10-11-31-13-28)20(24-14)16-6-8-27(9-7-16)22(30)19-12-18-15(2)25-26(3)23(18)32-19/h4-5,12,16H,6-11,13H2,1-3H3
InChIKeyXDDCWKAMWIQSIW-UHFFFAOYSA-N
XLogP3.81
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.64
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3798524
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43416107
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 51305036
[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone
CID 3716711
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone
CID 166227098
(2-fluoro-4-nitrophenyl)-[4-[6-methyl-3-(1,3-thiazolidine-3-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 4999895
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-[6-methyl-3-(1,3-thiazolidine-3-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 3803524
5,5-dimethyl-4-[4-[6-methyl-3-(1,3-thiazolidine-3-carbonyl)-2-pyridinyl]piperidine-1-carbonyl]oxolan-2-one
CID 3314499
2-[4-(dimethylamino)phenyl]-1-[4-[6-methyl-3-(1,3-thiazolidine-3-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 3845117
[3-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
CID 49216993
[(1S)-2-[4-[6-methyl-3-(1,3-thiazolidine-3-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate
CID 74226934
1-[4-[6-methyl-3-(1,3-thiazolidine-3-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-(2-phenylethenylsulfanyl)ethanone
CID 4626580

Frequently Asked Questions

What is the IUPAC name of [2-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of [2-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone (CID 3590270) is [2-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for [2-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for [2-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone is Cc1ccc(C(=O)N2CCSC2)c(C2CCN(C(=O)c3cc4c(C)nn(C)c4s3)CC2)n1.
What is the InChIKey of [2-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone?
The InChIKey is XDDCWKAMWIQSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S2/c1-14-4-5-17(21(29)28-10-11-31-13-28)20(24-14)16-6-8-27(9-7-16)22(30)19-12-18-15(2)25-26(3)23(18)32-19/h4-5,12,16H,6-11,13H2,1-3H3.
What are the key properties of [2-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone?
[2-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone has a molecular weight of 469.64 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 3590270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).