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

C24H30N6O2S — CID 38542466

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)NCc4cccnc4N4CCOCC4)CC3)c2c1C
InChIInChI=1S/C24H30N6O2S/c1-16-17(2)33-24-20(16)22(27-15-28-24)29-8-5-18(6-9-29)23(31)26-14-19-4-3-7-25-21(19)30-10-12-32-13-11-30/h3-4,7,15,18H,5-6,8-14H2,1-2H3,(H,26,31)
InChIKeyWMUMIBBHPPISNN-UHFFFAOYSA-N
MW466.61 g/mol
LogP3.07
Rot. Bonds5

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

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide (PubChem CID 38542466) has the molecular formula C24H30N6O2S and a molecular weight of 466.61 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
PubChem CID38542466
Molecular FormulaC24H30N6O2S
Molecular Weight466.61 g/mol
Exact Mass466.22
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)NCc4cccnc4N4CCOCC4)CC3)c2c1C
InChIInChI=1S/C24H30N6O2S/c1-16-17(2)33-24-20(16)22(27-15-28-24)29-8-5-18(6-9-29)23(31)26-14-19-4-3-7-25-21(19)30-10-12-32-13-11-30/h3-4,7,15,18H,5-6,8-14H2,1-2H3,(H,26,31)
InChIKeyWMUMIBBHPPISNN-UHFFFAOYSA-N
XLogP3.07
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

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-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 30270407
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 55954269
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-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119508053
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-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 55661085
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-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-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide (CID 38542466) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide is Cc1sc2ncnc(N3CCC(C(=O)NCc4cccnc4N4CCOCC4)CC3)c2c1C.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide?
The InChIKey is WMUMIBBHPPISNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2S/c1-16-17(2)33-24-20(16)22(27-15-28-24)29-8-5-18(6-9-29)23(31)26-14-19-4-3-7-25-21(19)30-10-12-32-13-11-30/h3-4,7,15,18H,5-6,8-14H2,1-2H3,(H,26,31).
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 3.07, 5 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-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 38542466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).