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

C26H26FN5O2S — CID 162663662

IUPAC2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
SMILESCOc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NCC4CCNCC4)c(F)c3)nc12
InChIInChI=1S/C26H26FN5O2S/c1-34-22-5-3-2-4-18(22)20-15-35-23-14-30-26(32-24(20)23)31-17-6-7-19(21(27)12-17)25(33)29-13-16-8-10-28-11-9-16/h2-7,12,14-16,28H,8-11,13H2,1H3,(H,29,33)(H,30,31,32)
InChIKeyIAPUNLAWHVALCP-UHFFFAOYSA-N
MW491.59 g/mol
LogP4.98
Rot. Bonds7

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

2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 162663662) 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-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
PubChem CID162663662
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-(piperidin-4-ylmethyl)benzamide
SMILESCOc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NCC4CCNCC4)c(F)c3)nc12
InChIInChI=1S/C26H26FN5O2S/c1-34-22-5-3-2-4-18(22)20-15-35-23-14-30-26(32-24(20)23)31-17-6-7-19(21(27)12-17)25(33)29-13-16-8-10-28-11-9-16/h2-7,12,14-16,28H,8-11,13H2,1H3,(H,29,33)(H,30,31,32)
InChIKeyIAPUNLAWHVALCP-UHFFFAOYSA-N
XLogP4.98
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(piperidin-4-ylmethyl)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-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide (CID 162663662) is 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide is COc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NCC4CCNCC4)c(F)c3)nc12.
What is the InChIKey of 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is IAPUNLAWHVALCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2S/c1-34-22-5-3-2-4-18(22)20-15-35-23-14-30-26(32-24(20)23)31-17-6-7-19(21(27)12-17)25(33)29-13-16-8-10-28-11-9-16/h2-7,12,14-16,28H,8-11,13H2,1H3,(H,29,33)(H,30,31,32).
What are the key properties of 2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide?
2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 491.59 g/mol, XLogP of 4.98, 7 rotatable bonds, 3 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-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 162663662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).