methoxymethane;4-[6-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine

C24H31N7O2S — CID 143572067

IUPACmethoxymethane;4-[6-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESCOC.c1cc2cc(-c3nc(N4CCOCC4)c4cc(CN5CCNCC5)sc4n3)cnc2[nH]1
InChIInChI=1S/C22H25N7OS.C2H6O/c1-2-24-19-15(1)11-16(13-25-19)20-26-21(29-7-9-30-10-8-29)18-12-17(31-22(18)27-20)14-28-5-3-23-4-6-28;1-3-2/h1-2,11-13,23H,3-10,14H2,(H,24,25);1-2H3
InChIKeyRKULVTUNNHHPSC-UHFFFAOYSA-N
MW481.63 g/mol
LogP2.74
Rot. Bonds4

About methoxymethane;4-[6-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine

methoxymethane;4-[6-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 143572067) has the molecular formula C24H31N7O2S and a molecular weight of 481.63 g/mol. Its IUPAC name is methoxymethane;4-[6-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Namemethoxymethane;4-[6-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID143572067
Molecular FormulaC24H31N7O2S
Molecular Weight481.63 g/mol
Exact Mass481.23
IUPAC Namemethoxymethane;4-[6-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESCOC.c1cc2cc(-c3nc(N4CCOCC4)c4cc(CN5CCNCC5)sc4n3)cnc2[nH]1
InChIInChI=1S/C22H25N7OS.C2H6O/c1-2-24-19-15(1)11-16(13-25-19)20-26-21(29-7-9-30-10-8-29)18-12-17(31-22(18)27-20)14-28-5-3-23-4-6-28;1-3-2/h1-2,11-13,23H,3-10,14H2,(H,24,25);1-2H3
InChIKeyRKULVTUNNHHPSC-UHFFFAOYSA-N
XLogP2.74
TPSA91.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.63
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methoxymethane;4-[6-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of methoxymethane;4-[6-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine (CID 143572067) is methoxymethane;4-[6-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for methoxymethane;4-[6-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for methoxymethane;4-[6-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine is COC.c1cc2cc(-c3nc(N4CCOCC4)c4cc(CN5CCNCC5)sc4n3)cnc2[nH]1.
What is the InChIKey of methoxymethane;4-[6-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is RKULVTUNNHHPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7OS.C2H6O/c1-2-24-19-15(1)11-16(13-25-19)20-26-21(29-7-9-30-10-8-29)18-12-17(31-22(18)27-20)14-28-5-3-23-4-6-28;1-3-2/h1-2,11-13,23H,3-10,14H2,(H,24,25);1-2H3.
What are the key properties of methoxymethane;4-[6-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
methoxymethane;4-[6-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 481.63 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;4-[6-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 143572067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).