1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperidin-4-yl]azetidin-2-one

C28H31N5O2S — CID 68795235

IUPAC1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperidin-4-yl]azetidin-2-one
SMILESO=C1CCN1C1CCN(Cc2cc3sc(-c4cccc5[nH]ccc45)cc3c(N3CCOCC3)n2)CC1
InChIInChI=1S/C28H31N5O2S/c34-27-7-11-33(27)20-5-9-31(10-6-20)18-19-16-25-23(28(30-19)32-12-14-35-15-13-32)17-26(36-25)22-2-1-3-24-21(22)4-8-29-24/h1-4,8,16-17,20,29H,5-7,9-15,18H2
InChIKeySONWUAYGWVCFLZ-UHFFFAOYSA-N
MW501.66 g/mol
LogP4.48
Rot. Bonds5

About 1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperidin-4-yl]azetidin-2-one

1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperidin-4-yl]azetidin-2-one (PubChem CID 68795235) has the molecular formula C28H31N5O2S and a molecular weight of 501.66 g/mol. Its IUPAC name is 1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperidin-4-yl]azetidin-2-one.

Molecular Properties

Compound Name1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperidin-4-yl]azetidin-2-one
PubChem CID68795235
Molecular FormulaC28H31N5O2S
Molecular Weight501.66 g/mol
Exact Mass501.22
IUPAC Name1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperidin-4-yl]azetidin-2-one
SMILESO=C1CCN1C1CCN(Cc2cc3sc(-c4cccc5[nH]ccc45)cc3c(N3CCOCC3)n2)CC1
InChIInChI=1S/C28H31N5O2S/c34-27-7-11-33(27)20-5-9-31(10-6-20)18-19-16-25-23(28(30-19)32-12-14-35-15-13-32)17-26(36-25)22-2-1-3-24-21(22)4-8-29-24/h1-4,8,16-17,20,29H,5-7,9-15,18H2
InChIKeySONWUAYGWVCFLZ-UHFFFAOYSA-N
XLogP4.48
TPSA64.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.66
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperidin-4-yl]azetidin-2-one with MolForge

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Related Compounds

4-[2-(1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 24938019
4-[6-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-c]pyridin-4-yl]morpholine
CID 70888111
1-[1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-7H-thieno[2,3-c]pyridin-6-yl]methyl]piperidin-4-yl]azetidin-2-one
CID 68784991
4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 140863792
1-[[5-(1H-indol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-4-carboxylic acid
CID 146216100
4-[4-(1H-indol-4-yl)-12-(morpholin-4-ylmethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine
CID 66927629
4-[6-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 58117040
[4-[[6-(1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid
CID 68762454
1-(2-hydroxyethyl)-4-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one
CID 24938258
3-[4-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propan-1-ol
CID 59151270
2-[4-[[2-(1H-indol-4-yl)-4-morpholin-4-ylquinazolin-6-yl]methyl]piperazin-1-yl]ethanol
CID 25141999
4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide
CID 126621071

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperidin-4-yl]azetidin-2-one?
The IUPAC name of 1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperidin-4-yl]azetidin-2-one (CID 68795235) is 1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperidin-4-yl]azetidin-2-one.
What is the SMILES notation for 1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperidin-4-yl]azetidin-2-one?
The canonical SMILES for 1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperidin-4-yl]azetidin-2-one is O=C1CCN1C1CCN(Cc2cc3sc(-c4cccc5[nH]ccc45)cc3c(N3CCOCC3)n2)CC1.
What is the InChIKey of 1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperidin-4-yl]azetidin-2-one?
The InChIKey is SONWUAYGWVCFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2S/c34-27-7-11-33(27)20-5-9-31(10-6-20)18-19-16-25-23(28(30-19)32-12-14-35-15-13-32)17-26(36-25)22-2-1-3-24-21(22)4-8-29-24/h1-4,8,16-17,20,29H,5-7,9-15,18H2.
What are the key properties of 1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperidin-4-yl]azetidin-2-one?
1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperidin-4-yl]azetidin-2-one has a molecular weight of 501.66 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperidin-4-yl]azetidin-2-one is sourced from PubChem (CID 68795235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).