N-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-yl]methanesulfonamide

C21H24N6O3S2 — CID 59593040

IUPACN-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-yl]methanesulfonamide
SMILESCC(C)(NS(C)(=O)=O)c1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1
InChIInChI=1S/C21H24N6O3S2/c1-21(2,26-32(3,28)29)17-11-16-18(31-17)20(27-7-9-30-10-8-27)24-19(23-16)13-5-4-6-15-14(13)12-22-25-15/h4-6,11-12,26H,7-10H2,1-3H3,(H,22,25)
InChIKeyPUGFDZBXEJEBLD-UHFFFAOYSA-N
MW472.60 g/mol
LogP2.86
Rot. Bonds5

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

N-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-yl]methanesulfonamide (PubChem CID 59593040) has the molecular formula C21H24N6O3S2 and a molecular weight of 472.60 g/mol. Its IUPAC name is N-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-yl]methanesulfonamide
PubChem CID59593040
Molecular FormulaC21H24N6O3S2
Molecular Weight472.60 g/mol
Exact Mass472.14
IUPAC NameN-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-yl]methanesulfonamide
SMILESCC(C)(NS(C)(=O)=O)c1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1
InChIInChI=1S/C21H24N6O3S2/c1-21(2,26-32(3,28)29)17-11-16-18(31-17)20(27-7-9-30-10-8-27)24-19(23-16)13-5-4-6-15-14(13)12-22-25-15/h4-6,11-12,26H,7-10H2,1-3H3,(H,22,25)
InChIKeyPUGFDZBXEJEBLD-UHFFFAOYSA-N
XLogP2.86
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfonamide
CID 59592859
N-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-yl]-4-methoxybenzamide
CID 59593151
(1R)-1-(2-hydroxyethylamino)-1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol
CID 71156805
4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59592910
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-methylsulfonylethanamine
CID 59593057
4-[6-ethenyl-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 70310200
4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-methylsulfonylpiperidin-4-ol
CID 59592875
2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonitrile
CID 59592848
4-[2-(1H-indazol-4-yl)-6-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59593168
2-(1H-indazol-4-yl)-4-morpholin-4-yl-N-phenylthieno[3,2-d]pyrimidin-6-amine
CID 59592927
3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]aniline
CID 59592979
1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl]piperazin-1-yl]ethanone
CID 59593152

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-yl]methanesulfonamide (CID 59593040) is N-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-yl]methanesulfonamide is CC(C)(NS(C)(=O)=O)c1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1.
What is the InChIKey of N-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-yl]methanesulfonamide?
The InChIKey is PUGFDZBXEJEBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3S2/c1-21(2,26-32(3,28)29)17-11-16-18(31-17)20(27-7-9-30-10-8-27)24-19(23-16)13-5-4-6-15-14(13)12-22-25-15/h4-6,11-12,26H,7-10H2,1-3H3,(H,22,25).
What are the key properties of N-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-yl]methanesulfonamide?
N-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-yl]methanesulfonamide has a molecular weight of 472.60 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 59593040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).