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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Related Compounds

N-(2,6-dimethylphenyl)-4-[[4-[4-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidin-2-yl]amino]benzamide
CID 118706754
3-[[4-[[4-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-phenoxy]thieno[3,2-d]pyrimidin-2-yl]amino]-1-piperidyl]methyl]benzamide
CID 129908739
US8735386, III-105
CID 68059766
2-[4-(1-Methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-[2-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 71747733
2-[5-Fluoro-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-(2-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine-6-carboxamide
CID 89823761
(4-(4-(Benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)-2-methoxyphenyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone
CID 44406634
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 44449937
N-[1-[2-(4-methoxyanilino)pyrimidin-4-yl]pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 44525942
(4-Methoxyphenyl)(2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl)methanone
CID 46883205
(S)-2-(2-methoxyphenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 52944876
[4-Amino-2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone
CID 56666444
N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methylphenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 76310508

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).