1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonylpiperazin-2-yl]-N,N-dimethylmethanamine

C26H34N8O3S2 — CID 59688527

IUPAC1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonylpiperazin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CCN1S(C)(=O)=O
InChIInChI=1S/C26H34N8O3S2/c1-31(2)15-18-16-32(7-8-34(18)39(3,35)36)17-19-13-23-24(38-19)26(33-9-11-37-12-10-33)29-25(28-23)20-5-4-6-22-21(20)14-27-30-22/h4-6,13-14,18H,7-12,15-17H2,1-3H3,(H,27,30)
InChIKeyPGKUATHXECPBSJ-UHFFFAOYSA-N
MW570.75 g/mol
LogP2.08
Rot. Bonds7

About 1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonylpiperazin-2-yl]-N,N-dimethylmethanamine

1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonylpiperazin-2-yl]-N,N-dimethylmethanamine (PubChem CID 59688527) has the molecular formula C26H34N8O3S2 and a molecular weight of 570.75 g/mol. Its IUPAC name is 1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonylpiperazin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonylpiperazin-2-yl]-N,N-dimethylmethanamine
PubChem CID59688527
Molecular FormulaC26H34N8O3S2
Molecular Weight570.75 g/mol
Exact Mass570.22
IUPAC Name1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonylpiperazin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CCN1S(C)(=O)=O
InChIInChI=1S/C26H34N8O3S2/c1-31(2)15-18-16-32(7-8-34(18)39(3,35)36)17-19-13-23-24(38-19)26(33-9-11-37-12-10-33)29-25(28-23)20-5-4-6-22-21(20)14-27-30-22/h4-6,13-14,18H,7-12,15-17H2,1-3H3,(H,27,30)
InChIKeyPGKUATHXECPBSJ-UHFFFAOYSA-N
XLogP2.08
TPSA110.79 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.75
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonylpiperazin-2-yl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylmethanesulfonamide
CID 155561328
1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpyrrolidin-3-amine
CID 143572078
4-[2-(1H-indazol-4-yl)-6-[(4-morpholin-4-ylsulfonylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59688554
1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-sulfonamide
CID 24994183
(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
4-[2-(1H-indazol-4-yl)-6-[[4-(methylsulfonylmethyl)azocan-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 123992881
4-[2-(1H-indazol-4-yl)-6-[[4-(4-methylpiperazin-1-yl)sulfonylpiperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59688524
3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine
CID 130267909
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfonamide
CID 59592859
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
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-methylsulfonylethanamine
CID 59593057
4-[2-(1H-indazol-4-yl)-6-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 11706409

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonylpiperazin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonylpiperazin-2-yl]-N,N-dimethylmethanamine (CID 59688527) is 1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonylpiperazin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonylpiperazin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonylpiperazin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CCN1S(C)(=O)=O.
What is the InChIKey of 1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonylpiperazin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is PGKUATHXECPBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O3S2/c1-31(2)15-18-16-32(7-8-34(18)39(3,35)36)17-19-13-23-24(38-19)26(33-9-11-37-12-10-33)29-25(28-23)20-5-4-6-22-21(20)14-27-30-22/h4-6,13-14,18H,7-12,15-17H2,1-3H3,(H,27,30).
What are the key properties of 1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonylpiperazin-2-yl]-N,N-dimethylmethanamine?
1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonylpiperazin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 570.75 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-methylsulfonylpiperazin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 59688527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).