2-[4-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide

C26H31FN8O2S — CID 25123389

IUPAC2-[4-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)N1CCN(Cc2nc3c(N4CCOCC4)nc(-c4c(F)ccc5[nH]ccc45)nc3s2)CC1
InChIInChI=1S/C26H31FN8O2S/c1-26(2,25(28)36)35-9-7-33(8-10-35)15-19-30-21-23(34-11-13-37-14-12-34)31-22(32-24(21)38-19)20-16-5-6-29-18(16)4-3-17(20)27/h3-6,29H,7-15H2,1-2H3,(H2,28,36)
InChIKeyIDVKQOBTGDUYQM-UHFFFAOYSA-N
MW538.65 g/mol
LogP2.59
Rot. Bonds6

About 2-[4-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide

2-[4-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide (PubChem CID 25123389) has the molecular formula C26H31FN8O2S and a molecular weight of 538.65 g/mol. Its IUPAC name is 2-[4-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide
PubChem CID25123389
Molecular FormulaC26H31FN8O2S
Molecular Weight538.65 g/mol
Exact Mass538.23
IUPAC Name2-[4-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)N1CCN(Cc2nc3c(N4CCOCC4)nc(-c4c(F)ccc5[nH]ccc45)nc3s2)CC1
InChIInChI=1S/C26H31FN8O2S/c1-26(2,25(28)36)35-9-7-33(8-10-35)15-19-30-21-23(34-11-13-37-14-12-34)31-22(32-24(21)38-19)20-16-5-6-29-18(16)4-3-17(20)27/h3-6,29H,7-15H2,1-2H3,(H2,28,36)
InChIKeyIDVKQOBTGDUYQM-UHFFFAOYSA-N
XLogP2.59
TPSA116.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.65
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide with MolForge

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Related Compounds

PI-3065
CID 24937012
2-Methyl-2-(4-((4-morpholino-2-(1h-pyrrolo[2,3-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)propanamide
CID 49834039
2-[4-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
CID 57506726
2-[1-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol
CID 71453081
2-(1H-Indol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine
CID 11634899
1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 11677284
N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]-N-methylmethanesulfonamide
CID 24936353
2-[4-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
CID 24937010
2-[4-[[2-(6-cyano-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
CID 24937637
(9aR)-8-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 46239494
1-((2-(1H-indol-3-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N,N-dimethylpiperidin-4-amine
CID 49820826
2-methyl-2-(4-((4-morpholino-2-(1H-pyrrolo[3,2-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)propanamide
CID 49834218

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
The IUPAC name of 2-[4-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide (CID 25123389) is 2-[4-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
The canonical SMILES for 2-[4-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide is CC(C)(C(N)=O)N1CCN(Cc2nc3c(N4CCOCC4)nc(-c4c(F)ccc5[nH]ccc45)nc3s2)CC1.
What is the InChIKey of 2-[4-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
The InChIKey is IDVKQOBTGDUYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN8O2S/c1-26(2,25(28)36)35-9-7-33(8-10-35)15-19-30-21-23(34-11-13-37-14-12-34)31-22(32-24(21)38-19)20-16-5-6-29-18(16)4-3-17(20)27/h3-6,29H,7-15H2,1-2H3,(H2,28,36).
What are the key properties of 2-[4-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
2-[4-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide has a molecular weight of 538.65 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide is sourced from PubChem (CID 25123389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).