1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

C25H28N6OS — CID 55954269

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)NCc4cccc(Cn5cccn5)c4)CC3)c2c1C
InChIInChI=1S/C25H28N6OS/c1-17-18(2)33-25-22(17)23(27-16-28-25)30-11-7-21(8-12-30)24(32)26-14-19-5-3-6-20(13-19)15-31-10-4-9-29-31/h3-6,9-10,13,16,21H,7-8,11-12,14-15H2,1-2H3,(H,26,32)
InChIKeyZWMSZTYFGWZCIX-UHFFFAOYSA-N
MW460.61 g/mol
LogP4.09
Rot. Bonds6

About 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 55954269) has the molecular formula C25H28N6OS and a molecular weight of 460.61 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID55954269
Molecular FormulaC25H28N6OS
Molecular Weight460.61 g/mol
Exact Mass460.20
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)NCc4cccc(Cn5cccn5)c4)CC3)c2c1C
InChIInChI=1S/C25H28N6OS/c1-17-18(2)33-25-22(17)23(27-16-28-25)30-11-7-21(8-12-30)24(32)26-14-19-5-3-6-20(13-19)15-31-10-4-9-29-31/h3-6,9-10,13,16,21H,7-8,11-12,14-15H2,1-2H3,(H,26,32)
InChIKeyZWMSZTYFGWZCIX-UHFFFAOYSA-N
XLogP4.09
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.61
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 9268829
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 55661085
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38542466
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 55573149
N-[3-(diethylaminomethyl)phenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 38748570
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119508053
3-[[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]propanoic acid
CID 119350896
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 78855921
N-(2-amino-2-methylpropyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride
CID 119629198
N-[2-(dimethylamino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 17415814
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119513267
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 26448184

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide (CID 55954269) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide is Cc1sc2ncnc(N3CCC(C(=O)NCc4cccc(Cn5cccn5)c4)CC3)c2c1C.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is ZWMSZTYFGWZCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6OS/c1-17-18(2)33-25-22(17)23(27-16-28-25)30-11-7-21(8-12-30)24(32)26-14-19-5-3-6-20(13-19)15-31-10-4-9-29-31/h3-6,9-10,13,16,21H,7-8,11-12,14-15H2,1-2H3,(H,26,32).
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 460.61 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55954269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).