ethane;3-methyl-1-[1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

C26H32N8OS — CID 144980072

IUPACethane;3-methyl-1-[1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC.Cc1nn(C(C)c2cc3ccccn3c2-c2csc(CN3CCOCC3)n2)c2ncnc(N)c12
InChIInChI=1S/C24H26N8OS.C2H6/c1-15-21-23(25)26-14-27-24(21)32(29-15)16(2)18-11-17-5-3-4-6-31(17)22(18)19-13-34-20(28-19)12-30-7-9-33-10-8-30;1-2/h3-6,11,13-14,16H,7-10,12H2,1-2H3,(H2,25,26,27);1-2H3
InChIKeyJOUKAZAUWGPDMS-UHFFFAOYSA-N
MW504.66 g/mol
LogP4.56
Rot. Bonds5

About ethane;3-methyl-1-[1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

ethane;3-methyl-1-[1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 144980072) has the molecular formula C26H32N8OS and a molecular weight of 504.66 g/mol. Its IUPAC name is ethane;3-methyl-1-[1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Nameethane;3-methyl-1-[1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID144980072
Molecular FormulaC26H32N8OS
Molecular Weight504.66 g/mol
Exact Mass504.24
IUPAC Nameethane;3-methyl-1-[1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC.Cc1nn(C(C)c2cc3ccccn3c2-c2csc(CN3CCOCC3)n2)c2ncnc(N)c12
InChIInChI=1S/C24H26N8OS.C2H6/c1-15-21-23(25)26-14-27-24(21)32(29-15)16(2)18-11-17-5-3-4-6-31(17)22(18)19-13-34-20(28-19)12-30-7-9-33-10-8-30;1-2/h3-6,11,13-14,16H,7-10,12H2,1-2H3,(H2,25,26,27);1-2H3
InChIKeyJOUKAZAUWGPDMS-UHFFFAOYSA-N
XLogP4.56
TPSA99.39 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.66
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethane;3-methyl-1-[1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

1-[1-({4-[3-phenyl-5-(1,3-thiazol-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24971394
2-[Phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]thiazole
CID 3011483
4-[4-[(3-Methyl-2-thienyl)-(2-pyridyl)methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011489
6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(oxolan-3-yl)quinolin-3-amine
CID 89451640
4-[2-(quinolin-2-ylsulfanylmethyl)-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 117728508
N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 118537115
N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 118537131
4-[2-(1H-indazol-4-yl)-6-[[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 137641405
4-[2-(1H-indol-4-yl)-6-[[4-(3-methyl-1,2,4-triazol-4-yl)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 137657006
4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-[2-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine
CID 155544576
4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-[2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine
CID 155568726
3-(2-((2-methylthiazol-4-yl)methyl)-1H-benzo[d]imidazol-5-yl)-1-((1r,4r)-4-morpholinocyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 44441735

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-[1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of ethane;3-methyl-1-[1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 144980072) is ethane;3-methyl-1-[1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for ethane;3-methyl-1-[1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for ethane;3-methyl-1-[1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is CC.Cc1nn(C(C)c2cc3ccccn3c2-c2csc(CN3CCOCC3)n2)c2ncnc(N)c12.
What is the InChIKey of ethane;3-methyl-1-[1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JOUKAZAUWGPDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8OS.C2H6/c1-15-21-23(25)26-14-27-24(21)32(29-15)16(2)18-11-17-5-3-4-6-31(17)22(18)19-13-34-20(28-19)12-30-7-9-33-10-8-30;1-2/h3-6,11,13-14,16H,7-10,12H2,1-2H3,(H2,25,26,27);1-2H3.
What are the key properties of ethane;3-methyl-1-[1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
ethane;3-methyl-1-[1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 504.66 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-[1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 144980072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).