1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine

C30H36N8O2S2 — CID 11585235

IUPAC1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
SMILESCOCCN(Cc1nccs1)C1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C30H36N8O2S2/c1-39-13-10-38(20-27-31-7-16-41-27)21-5-8-36(9-6-21)19-22-17-26-28(42-22)30(37-11-14-40-15-12-37)34-29(33-26)23-3-2-4-25-24(23)18-32-35-25/h2-4,7,16-18,21H,5-6,8-15,19-20H2,1H3,(H,32,35)
InChIKeyRUYXFAVTOUHWDO-UHFFFAOYSA-N
MW604.81 g/mol
LogP4.64
Rot. Bonds10

About 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine

1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine (PubChem CID 11585235) has the molecular formula C30H36N8O2S2 and a molecular weight of 604.81 g/mol. Its IUPAC name is 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
PubChem CID11585235
Molecular FormulaC30H36N8O2S2
Molecular Weight604.81 g/mol
Exact Mass604.24
IUPAC Name1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
SMILESCOCCN(Cc1nccs1)C1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C30H36N8O2S2/c1-39-13-10-38(20-27-31-7-16-41-27)21-5-8-36(9-6-21)19-22-17-26-28(42-22)30(37-11-14-40-15-12-37)34-29(33-26)23-3-2-4-25-24(23)18-32-35-25/h2-4,7,16-18,21H,5-6,8-15,19-20H2,1H3,(H,32,35)
InChIKeyRUYXFAVTOUHWDO-UHFFFAOYSA-N
XLogP4.64
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.81
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine with MolForge

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Related Compounds

Pictilisib
CID 17755052
1-(4-{[2-(1H-indazol-4-yl)-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-6-methylhept-5-ene-1,4-dione
CID 58441401
2-(1H-Indazol-4-yl)-6-(4-methyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine
CID 11532472
2-(1H-indazol-4-yl)-4-morpholinothieno[3,2-d]pyrimidine
CID 25023743
Pictilisib Bismesylate
CID 56972143
2-(1H-indazol-6-yl)-4-morpholinothieno[3,2-d]pyrimidine
CID 25023744
4-[6-[[(5aR,9aS)-1-(trifluoromethyl)-5,5a,6,8,9,9a-hexahydro-4H-[1,2,4]triazolo[4,3-a][1,6]naphthyridin-7-yl]methyl]-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 137633081
4-[6-[[(5aS,9aS)-1-methyl-5,5a,6,8,9,9a-hexahydro-4H-[1,2,4]triazolo[4,3-a][1,6]naphthyridin-7-yl]methyl]-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 137635017
4-[6-[[(5aR,9aS)-1-methyl-5,5a,6,8,9,9a-hexahydro-4H-[1,2,4]triazolo[4,3-a][1,6]naphthyridin-7-yl]methyl]-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 137648826
4-[6-[[(5aS,9aR)-1-methyl-5,5a,6,8,9,9a-hexahydro-4H-[1,2,4]triazolo[4,3-a][1,6]naphthyridin-7-yl]methyl]-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 155551405
N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-2-methoxy-N-methylacetamide
CID 11562853
2-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol
CID 11584055

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine (CID 11585235) is 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine is COCCN(Cc1nccs1)C1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The InChIKey is RUYXFAVTOUHWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N8O2S2/c1-39-13-10-38(20-27-31-7-16-41-27)21-5-8-36(9-6-21)19-22-17-26-28(42-22)30(37-11-14-40-15-12-37)34-29(33-26)23-3-2-4-25-24(23)18-32-35-25/h2-4,7,16-18,21H,5-6,8-15,19-20H2,1H3,(H,32,35).
What are the key properties of 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine has a molecular weight of 604.81 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 11585235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).