2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide

C26H26FN5O2S — CID 162675749

IUPAC2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCOc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)c(F)c3)nc12
InChIInChI=1S/C26H26FN5O2S/c1-32-11-9-16(10-12-32)29-25(33)19-8-7-17(13-21(19)27)30-26-28-14-23-24(31-26)20(15-35-23)18-5-3-4-6-22(18)34-2/h3-8,13-16H,9-12H2,1-2H3,(H,29,33)(H,28,30,31)
InChIKeyNLODIUJHOYSQIR-UHFFFAOYSA-N
MW491.59 g/mol
LogP5.07
Rot. Bonds6

About 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide

2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 162675749) has the molecular formula C26H26FN5O2S and a molecular weight of 491.59 g/mol. Its IUPAC name is 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID162675749
Molecular FormulaC26H26FN5O2S
Molecular Weight491.59 g/mol
Exact Mass491.18
IUPAC Name2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCOc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)c(F)c3)nc12
InChIInChI=1S/C26H26FN5O2S/c1-32-11-9-16(10-12-32)29-25(33)19-8-7-17(13-21(19)27)30-26-28-14-23-24(31-26)20(15-35-23)18-5-3-4-6-22(18)34-2/h3-8,13-16H,9-12H2,1-2H3,(H,29,33)(H,28,30,31)
InChIKeyNLODIUJHOYSQIR-UHFFFAOYSA-N
XLogP5.07
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide (CID 162675749) is 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide is COc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)c(F)c3)nc12.
What is the InChIKey of 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is NLODIUJHOYSQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2S/c1-32-11-9-16(10-12-32)29-25(33)19-8-7-17(13-21(19)27)30-26-28-14-23-24(31-26)20(15-35-23)18-5-3-4-6-22(18)34-2/h3-8,13-16H,9-12H2,1-2H3,(H,29,33)(H,28,30,31).
What are the key properties of 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide?
2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 491.59 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 162675749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).