4-[5-(1H-indol-4-yl)-2-[morpholin-4-yl(piperidin-1-yl)methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine

C27H33N7O2S — CID 91171257

IUPAC4-[5-(1H-indol-4-yl)-2-[morpholin-4-yl(piperidin-1-yl)methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
SMILESc1cc(-c2nc(N3CCOCC3)c3sc(C(N4CCCCC4)N4CCOCC4)nc3n2)c2cc[nH]c2c1
InChIInChI=1S/C27H33N7O2S/c1-2-9-33(10-3-1)27(34-13-17-36-18-14-34)26-31-24-22(37-26)25(32-11-15-35-16-12-32)30-23(29-24)20-5-4-6-21-19(20)7-8-28-21/h4-8,27-28H,1-3,9-18H2
InChIKeyBDROEDNODAIFPH-UHFFFAOYSA-N
MW519.68 g/mol
LogP3.89
Rot. Bonds5

About 4-[5-(1H-indol-4-yl)-2-[morpholin-4-yl(piperidin-1-yl)methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine

4-[5-(1H-indol-4-yl)-2-[morpholin-4-yl(piperidin-1-yl)methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine (PubChem CID 91171257) has the molecular formula C27H33N7O2S and a molecular weight of 519.68 g/mol. Its IUPAC name is 4-[5-(1H-indol-4-yl)-2-[morpholin-4-yl(piperidin-1-yl)methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-(1H-indol-4-yl)-2-[morpholin-4-yl(piperidin-1-yl)methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
PubChem CID91171257
Molecular FormulaC27H33N7O2S
Molecular Weight519.68 g/mol
Exact Mass519.24
IUPAC Name4-[5-(1H-indol-4-yl)-2-[morpholin-4-yl(piperidin-1-yl)methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
SMILESc1cc(-c2nc(N3CCOCC3)c3sc(C(N4CCCCC4)N4CCOCC4)nc3n2)c2cc[nH]c2c1
InChIInChI=1S/C27H33N7O2S/c1-2-9-33(10-3-1)27(34-13-17-36-18-14-34)26-31-24-22(37-26)25(32-11-15-35-16-12-32)30-23(29-24)20-5-4-6-21-19(20)7-8-28-21/h4-8,27-28H,1-3,9-18H2
InChIKeyBDROEDNODAIFPH-UHFFFAOYSA-N
XLogP3.89
TPSA82.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.68
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[5-(1H-indol-4-yl)-2-[morpholin-4-yl(piperidin-1-yl)methyl]-[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
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
5-N-(1H-indol-3-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine
CID 10253331
4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-3-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
CID 11633996
2-(1H-Indol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine
CID 11634899

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1H-indol-4-yl)-2-[morpholin-4-yl(piperidin-1-yl)methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-(1H-indol-4-yl)-2-[morpholin-4-yl(piperidin-1-yl)methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine (CID 91171257) is 4-[5-(1H-indol-4-yl)-2-[morpholin-4-yl(piperidin-1-yl)methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-(1H-indol-4-yl)-2-[morpholin-4-yl(piperidin-1-yl)methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-(1H-indol-4-yl)-2-[morpholin-4-yl(piperidin-1-yl)methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine is c1cc(-c2nc(N3CCOCC3)c3sc(C(N4CCCCC4)N4CCOCC4)nc3n2)c2cc[nH]c2c1.
What is the InChIKey of 4-[5-(1H-indol-4-yl)-2-[morpholin-4-yl(piperidin-1-yl)methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine?
The InChIKey is BDROEDNODAIFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O2S/c1-2-9-33(10-3-1)27(34-13-17-36-18-14-34)26-31-24-22(37-26)25(32-11-15-35-16-12-32)30-23(29-24)20-5-4-6-21-19(20)7-8-28-21/h4-8,27-28H,1-3,9-18H2.
What are the key properties of 4-[5-(1H-indol-4-yl)-2-[morpholin-4-yl(piperidin-1-yl)methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine?
4-[5-(1H-indol-4-yl)-2-[morpholin-4-yl(piperidin-1-yl)methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine has a molecular weight of 519.68 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1H-indol-4-yl)-2-[morpholin-4-yl(piperidin-1-yl)methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 91171257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).