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

C25H25N5O2S — CID 162666035

IUPAC4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide
SMILESCOc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC4CCNCC4)cc3)nc12
InChIInChI=1S/C25H25N5O2S/c1-32-21-5-3-2-4-19(21)20-15-33-22-14-27-25(30-23(20)22)29-17-8-6-16(7-9-17)24(31)28-18-10-12-26-13-11-18/h2-9,14-15,18,26H,10-13H2,1H3,(H,28,31)(H,27,29,30)
InChIKeyUKPLONCDDRXSLC-UHFFFAOYSA-N
MW459.58 g/mol
LogP4.59
Rot. Bonds6

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

4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide (PubChem CID 162666035) has the molecular formula C25H25N5O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is 4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide
PubChem CID162666035
Molecular FormulaC25H25N5O2S
Molecular Weight459.58 g/mol
Exact Mass459.17
IUPAC Name4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide
SMILESCOc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC4CCNCC4)cc3)nc12
InChIInChI=1S/C25H25N5O2S/c1-32-21-5-3-2-4-19(21)20-15-33-22-14-27-25(30-23(20)22)29-17-8-6-16(7-9-17)24(31)28-18-10-12-26-13-11-18/h2-9,14-15,18,26H,10-13H2,1H3,(H,28,31)(H,27,29,30)
InChIKeyUKPLONCDDRXSLC-UHFFFAOYSA-N
XLogP4.59
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide (CID 162666035) is 4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide is COc1ccccc1-c1csc2cnc(Nc3ccc(C(=O)NC4CCNCC4)cc3)nc12.
What is the InChIKey of 4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide?
The InChIKey is UKPLONCDDRXSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S/c1-32-21-5-3-2-4-19(21)20-15-33-22-14-27-25(30-23(20)22)29-17-8-6-16(7-9-17)24(31)28-18-10-12-26-13-11-18/h2-9,14-15,18,26H,10-13H2,1H3,(H,28,31)(H,27,29,30).
What are the key properties of 4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide?
4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide has a molecular weight of 459.58 g/mol, XLogP of 4.59, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 162666035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).