[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-thiophen-2-ylmethanone

C17H19N5OS — CID 97187183

IUPAC[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-thiophen-2-ylmethanone
SMILESCc1nc(N2CCC[C@H](C(=O)c3cccs3)C2)c2cnn(C)c2n1
InChIInChI=1S/C17H19N5OS/c1-11-19-16-13(9-18-21(16)2)17(20-11)22-7-3-5-12(10-22)15(23)14-6-4-8-24-14/h4,6,8-9,12H,3,5,7,10H2,1-2H3/t12-/m0/s1
InChIKeyPNMCJGKLKJACGI-LBPRGKRZSA-N
MW341.44 g/mol
LogP2.83
Rot. Bonds3

About [(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-thiophen-2-ylmethanone

[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-thiophen-2-ylmethanone (PubChem CID 97187183) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is [(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-thiophen-2-ylmethanone
PubChem CID97187183
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-thiophen-2-ylmethanone
SMILESCc1nc(N2CCC[C@H](C(=O)c3cccs3)C2)c2cnn(C)c2n1
InChIInChI=1S/C17H19N5OS/c1-11-19-16-13(9-18-21(16)2)17(20-11)22-7-3-5-12(10-22)15(23)14-6-4-8-24-14/h4,6,8-9,12H,3,5,7,10H2,1-2H3/t12-/m0/s1
InChIKeyPNMCJGKLKJACGI-LBPRGKRZSA-N
XLogP2.83
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-thiophen-2-ylmethanone with MolForge

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Related Compounds

(3-chlorophenyl)-[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 97196194
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 97199860
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 94521513
1,6-dimethyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 95578448
1,6-dimethyl-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 56816166
[(3S)-1-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 95711494
4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 163352973
ethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 56897120
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 43088533
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 86808303
2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
CID 70716310
1,6-dimethyl-4-(2-phenylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 56816112

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-thiophen-2-ylmethanone (CID 97187183) is [(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-thiophen-2-ylmethanone is Cc1nc(N2CCC[C@H](C(=O)c3cccs3)C2)c2cnn(C)c2n1.
What is the InChIKey of [(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-thiophen-2-ylmethanone?
The InChIKey is PNMCJGKLKJACGI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-11-19-16-13(9-18-21(16)2)17(20-11)22-7-3-5-12(10-22)15(23)14-6-4-8-24-14/h4,6,8-9,12H,3,5,7,10H2,1-2H3/t12-/m0/s1.
What are the key properties of [(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-thiophen-2-ylmethanone?
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-thiophen-2-ylmethanone has a molecular weight of 341.44 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 97187183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).