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

C25H24FN5O2S — CID 162676360

IUPAC3-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide
SMILESCOc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC4CCNCC4)cc3F)nc12
InChIInChI=1S/C25H24FN5O2S/c1-33-21-5-3-2-4-17(21)18-14-34-22-13-28-25(31-23(18)22)30-20-7-6-15(12-19(20)26)24(32)29-16-8-10-27-11-9-16/h2-7,12-14,16,27H,8-11H2,1H3,(H,29,32)(H,28,30,31)
InChIKeyLWYQSQHYOQZLGD-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.73
Rot. Bonds6

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

3-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide (PubChem CID 162676360) has the molecular formula C25H24FN5O2S and a molecular weight of 477.57 g/mol. Its IUPAC name is 3-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide
PubChem CID162676360
Molecular FormulaC25H24FN5O2S
Molecular Weight477.57 g/mol
Exact Mass477.16
IUPAC Name3-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide
SMILESCOc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC4CCNCC4)cc3F)nc12
InChIInChI=1S/C25H24FN5O2S/c1-33-21-5-3-2-4-17(21)18-14-34-22-13-28-25(31-23(18)22)30-20-7-6-15(12-19(20)26)24(32)29-16-8-10-27-11-9-16/h2-7,12-14,16,27H,8-11H2,1H3,(H,29,32)(H,28,30,31)
InChIKeyLWYQSQHYOQZLGD-UHFFFAOYSA-N
XLogP4.73
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide?
The IUPAC name of 3-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide (CID 162676360) is 3-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 3-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide?
The canonical SMILES for 3-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide is COc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC4CCNCC4)cc3F)nc12.
What is the InChIKey of 3-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide?
The InChIKey is LWYQSQHYOQZLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2S/c1-33-21-5-3-2-4-17(21)18-14-34-22-13-28-25(31-23(18)22)30-20-7-6-15(12-19(20)26)24(32)29-16-8-10-27-11-9-16/h2-7,12-14,16,27H,8-11H2,1H3,(H,29,32)(H,28,30,31).
What are the key properties of 3-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide?
3-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide has a molecular weight of 477.57 g/mol, XLogP of 4.73, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 162676360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).