2-amino-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one

C26H32N8O2S — CID 24996702

IUPAC2-amino-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)N1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cccc5[nH]ncc45)nc3s2)CC1
InChIInChI=1S/C26H32N8O2S/c1-26(2,27)25(35)34-8-6-32(7-9-34)16-17-14-19-23(33-10-12-36-13-11-33)29-22(30-24(19)37-17)18-4-3-5-21-20(18)15-28-31-21/h3-5,14-15H,6-13,16,27H2,1-2H3,(H,28,31)
InChIKeyGUKBWHKSZLXZJN-UHFFFAOYSA-N
MW520.66 g/mol
LogP2.45
Rot. Bonds5

About 2-amino-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one

2-amino-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 24996702) has the molecular formula C26H32N8O2S and a molecular weight of 520.66 g/mol. Its IUPAC name is 2-amino-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID24996702
Molecular FormulaC26H32N8O2S
Molecular Weight520.66 g/mol
Exact Mass520.24
IUPAC Name2-amino-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)N1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cccc5[nH]ncc45)nc3s2)CC1
InChIInChI=1S/C26H32N8O2S/c1-26(2,27)25(35)34-8-6-32(7-9-34)16-17-14-19-23(33-10-12-36-13-11-33)29-22(30-24(19)37-17)18-4-3-5-21-20(18)15-28-31-21/h3-5,14-15H,6-13,16,27H2,1-2H3,(H,28,31)
InChIKeyGUKBWHKSZLXZJN-UHFFFAOYSA-N
XLogP2.45
TPSA116.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
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-amino-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanol
CID 174682351
1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methylhept-5-ene-1,4-dione
CID 58441401
1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]hept-5-ene-1,4-dione
CID 67054510
[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl] but-2-enoate
CID 67054491
4-[2-(1H-indazol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 11692075
4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methyl-4-oxooxetan-3-yl)piperazine-1-carboxamide
CID 76802590
4-[2-(1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 24938019
(3R)-1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidine-3-carboxylic acid;methanamine
CID 160660217
N-[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-oxoethyl]-4-oxoheptanamide
CID 58441706
1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]non-5-ene-1,4-dione
CID 67054603
1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-5-methyl-6-phenylhex-5-ene-1,4-dione
CID 67054511
1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-sulfonamide
CID 24994183

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one (CID 24996702) is 2-amino-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one is CC(C)(N)C(=O)N1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cccc5[nH]ncc45)nc3s2)CC1.
What is the InChIKey of 2-amino-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is GUKBWHKSZLXZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O2S/c1-26(2,27)25(35)34-8-6-32(7-9-34)16-17-14-19-23(33-10-12-36-13-11-33)29-22(30-24(19)37-17)18-4-3-5-21-20(18)15-28-31-21/h3-5,14-15H,6-13,16,27H2,1-2H3,(H,28,31).
What are the key properties of 2-amino-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one?
2-amino-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 520.66 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 24996702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).