1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide

C22H25N7OS — CID 134030817

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)NC(C)c4nnc5ccccn45)CC3)c2c1C
InChIInChI=1S/C22H25N7OS/c1-13-15(3)31-22-18(13)20(23-12-24-22)28-10-7-16(8-11-28)21(30)25-14(2)19-27-26-17-6-4-5-9-29(17)19/h4-6,9,12,14,16H,7-8,10-11H2,1-3H3,(H,25,30)
InChIKeyWHYSUKDCXYWTQB-UHFFFAOYSA-N
MW435.56 g/mol
LogP3.44
Rot. Bonds4

About 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 134030817) has the molecular formula C22H25N7OS and a molecular weight of 435.56 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID134030817
Molecular FormulaC22H25N7OS
Molecular Weight435.56 g/mol
Exact Mass435.18
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)NC(C)c4nnc5ccccn45)CC3)c2c1C
InChIInChI=1S/C22H25N7OS/c1-13-15(3)31-22-18(13)20(23-12-24-22)28-10-7-16(8-11-28)21(30)25-14(2)19-27-26-17-6-4-5-9-29(17)19/h4-6,9,12,14,16H,7-8,10-11H2,1-3H3,(H,25,30)
InChIKeyWHYSUKDCXYWTQB-UHFFFAOYSA-N
XLogP3.44
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.56
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 55397767
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 26448184
N-(4-acetamidophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 30266901
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 40898290
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-(2-hydroxypropyl)piperidine-4-carboxamide
CID 78855921
N-(1-amino-4-methylpentan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 119587791
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 55661621
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 55573149
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 18274285
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119508053
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-fluorobenzoyl)piperidine-4-carbohydrazide
CID 30275952

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide (CID 134030817) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide is Cc1sc2ncnc(N3CCC(C(=O)NC(C)c4nnc5ccccn45)CC3)c2c1C.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is WHYSUKDCXYWTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7OS/c1-13-15(3)31-22-18(13)20(23-12-24-22)28-10-7-16(8-11-28)21(30)25-14(2)19-27-26-17-6-4-5-9-29(17)19/h4-6,9,12,14,16H,7-8,10-11H2,1-3H3,(H,25,30).
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 435.56 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 134030817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).