4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine

C25H28FN7OS — CID 58234943

IUPAC4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
SMILESFc1cc(-c2nc(N3CCOCC3)c3sc(CN4CC5(CCNCC5)C4)nc3n2)c2cc[nH]c2c1
InChIInChI=1S/C25H28FN7OS/c26-16-11-18(17-1-4-28-19(17)12-16)22-30-23-21(24(31-22)33-7-9-34-10-8-33)35-20(29-23)13-32-14-25(15-32)2-5-27-6-3-25/h1,4,11-12,27-28H,2-3,5-10,13-15H2
InChIKeyYIYPVKXHUPVZTD-UHFFFAOYSA-N
MW493.61 g/mol
LogP3.40
Rot. Bonds4

About 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine

4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine (PubChem CID 58234943) has the molecular formula C25H28FN7OS and a molecular weight of 493.61 g/mol. Its IUPAC name is 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
PubChem CID58234943
Molecular FormulaC25H28FN7OS
Molecular Weight493.61 g/mol
Exact Mass493.21
IUPAC Name4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
SMILESFc1cc(-c2nc(N3CCOCC3)c3sc(CN4CC5(CCNCC5)C4)nc3n2)c2cc[nH]c2c1
InChIInChI=1S/C25H28FN7OS/c26-16-11-18(17-1-4-28-19(17)12-16)22-30-23-21(24(31-22)33-7-9-34-10-8-33)35-20(29-23)13-32-14-25(15-32)2-5-27-6-3-25/h1,4,11-12,27-28H,2-3,5-10,13-15H2
InChIKeyYIYPVKXHUPVZTD-UHFFFAOYSA-N
XLogP3.40
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine with MolForge

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Related Compounds

PI-3065
CID 24937012
8-(1H-indol-4-yl)-2,6-bis((3R)-3-methylmorpholin-4-yl)-7H-purine
CID 60148794
8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]-9H-purine
CID 60148924
2-[4-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
CID 57506726
2-[1-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol
CID 71453081
2-(1H-Indol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine
CID 11634899
1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 11677284
N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-3-yl]-N-methylmethanesulfonamide
CID 24936353
2-[4-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
CID 24937010
(9aR)-8-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 46239494
1-((2-(1H-indol-3-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N,N-dimethylpiperidin-4-amine
CID 49820826
1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 57506734

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine (CID 58234943) is 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine is Fc1cc(-c2nc(N3CCOCC3)c3sc(CN4CC5(CCNCC5)C4)nc3n2)c2cc[nH]c2c1.
What is the InChIKey of 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine?
The InChIKey is YIYPVKXHUPVZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN7OS/c26-16-11-18(17-1-4-28-19(17)12-16)22-30-23-21(24(31-22)33-7-9-34-10-8-33)35-20(29-23)13-32-14-25(15-32)2-5-27-6-3-25/h1,4,11-12,27-28H,2-3,5-10,13-15H2.
What are the key properties of 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine?
4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine has a molecular weight of 493.61 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 58234943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).