6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide

C20H20N6OS — CID 133487281

IUPAC6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(N2CCN(c3ncnc4sc(C)cc34)CC2)nc1
InChIInChI=1S/C20H20N6OS/c1-3-6-21-19(27)15-4-5-17(22-12-15)25-7-9-26(10-8-25)18-16-11-14(2)28-20(16)24-13-23-18/h1,4-5,11-13H,6-10H2,2H3,(H,21,27)
InChIKeyXWLCUEFDGFGRGP-UHFFFAOYSA-N
MW392.49 g/mol
LogP2.08
Rot. Bonds4

About 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide

6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide (PubChem CID 133487281) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide
PubChem CID133487281
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC Name6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(N2CCN(c3ncnc4sc(C)cc34)CC2)nc1
InChIInChI=1S/C20H20N6OS/c1-3-6-21-19(27)15-4-5-17(22-12-15)25-7-9-26(10-8-25)18-16-11-14(2)28-20(16)24-13-23-18/h1,4-5,11-13H,6-10H2,2H3,(H,21,27)
InChIKeyXWLCUEFDGFGRGP-UHFFFAOYSA-N
XLogP2.08
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133487127
N-methyl-6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133487033
6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133487212
6-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-N-prop-2-ynylpyridine-3-carboxamide
CID 133499229
6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide
CID 133315488
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 39072808
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide
CID 133408735
5-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133487106
2,2-dimethyl-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 39072814
4-ethyl-2-[6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137271982

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide?
The IUPAC name of 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide (CID 133487281) is 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide is C#CCNC(=O)c1ccc(N2CCN(c3ncnc4sc(C)cc34)CC2)nc1.
What is the InChIKey of 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide?
The InChIKey is XWLCUEFDGFGRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6OS/c1-3-6-21-19(27)15-4-5-17(22-12-15)25-7-9-26(10-8-25)18-16-11-14(2)28-20(16)24-13-23-18/h1,4-5,11-13H,6-10H2,2H3,(H,21,27).
What are the key properties of 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide?
6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide has a molecular weight of 392.49 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide is sourced from PubChem (CID 133487281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).