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

C26H32N8O2S — CID 25123390

IUPAC2-[4-[[5-(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(-c4cccc5[nH]ccc45)nc3s2)CC1
InChIInChI=1S/C26H32N8O2S/c1-26(2,25(27)35)34-10-8-32(9-11-34)16-20-29-21-23(33-12-14-36-15-13-33)30-22(31-24(21)37-20)18-4-3-5-19-17(18)6-7-28-19/h3-7,28H,8-16H2,1-2H3,(H2,27,35)
InChIKeyBPIXHFZJDGXZRU-UHFFFAOYSA-N
MW520.66 g/mol
LogP2.45
Rot. Bonds6

About 2-[4-[[5-(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-(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 25123390) has the molecular formula C26H32N8O2S and a molecular weight of 520.66 g/mol. Its IUPAC name is 2-[4-[[5-(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-(1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide
PubChem CID25123390
Molecular FormulaC26H32N8O2S
Molecular Weight520.66 g/mol
Exact Mass520.24
IUPAC Name2-[4-[[5-(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(-c4cccc5[nH]ccc45)nc3s2)CC1
InChIInChI=1S/C26H32N8O2S/c1-26(2,25(27)35)34-10-8-32(9-11-34)16-20-29-21-23(33-12-14-36-15-13-33)30-22(31-24(21)37-20)18-4-3-5-19-17(18)6-7-28-19/h3-7,28H,8-16H2,1-2H3,(H2,27,35)
InChIKeyBPIXHFZJDGXZRU-UHFFFAOYSA-N
XLogP2.45
TPSA116.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.66
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-[[5-(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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(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-(1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide (CID 25123390) is 2-[4-[[5-(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-(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-(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(-c4cccc5[nH]ccc45)nc3s2)CC1.
What is the InChIKey of 2-[4-[[5-(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 BPIXHFZJDGXZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O2S/c1-26(2,25(27)35)34-10-8-32(9-11-34)16-20-29-21-23(33-12-14-36-15-13-33)30-22(31-24(21)37-20)18-4-3-5-19-17(18)6-7-28-19/h3-7,28H,8-16H2,1-2H3,(H2,27,35).
What are the key properties of 2-[4-[[5-(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-(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 520.66 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(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 25123390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).