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

C28H32FN5O2S — CID 68784991

IUPAC1-[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
SMILESO=C1CCN1C1CCN(CN2C=C(N3CCOCC3)c3cc(-c4c(F)ccc5[nH]ccc45)sc3C2)CC1
InChIInChI=1S/C28H32FN5O2S/c29-22-1-2-23-20(3-7-30-23)28(22)25-15-21-24(33-11-13-36-14-12-33)16-32(17-26(21)37-25)18-31-8-4-19(5-9-31)34-10-6-27(34)35/h1-3,7,15-16,19,30H,4-6,8-14,17-18H2
InChIKeyOIFRHWUQUAYMQT-UHFFFAOYSA-N
MW521.66 g/mol
LogP4.14
Rot. Bonds5

About 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

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 (PubChem CID 68784991) has the molecular formula C28H32FN5O2S and a molecular weight of 521.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID68784991
Molecular FormulaC28H32FN5O2S
Molecular Weight521.66 g/mol
Exact Mass521.23
IUPAC Name1-[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
SMILESO=C1CCN1C1CCN(CN2C=C(N3CCOCC3)c3cc(-c4c(F)ccc5[nH]ccc45)sc3C2)CC1
InChIInChI=1S/C28H32FN5O2S/c29-22-1-2-23-20(3-7-30-23)28(22)25-15-21-24(33-11-13-36-14-12-33)16-32(17-26(21)37-25)18-31-8-4-19(5-9-31)34-10-6-27(34)35/h1-3,7,15-16,19,30H,4-6,8-14,17-18H2
InChIKeyOIFRHWUQUAYMQT-UHFFFAOYSA-N
XLogP4.14
TPSA55.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.66
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1CCN1C1CCN(CN2C=C(N3CCOCC3)c3cc(-c4c(F)ccc5[nH]ccc45)sc3C2)CC1.
What is the InChIKey of 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?
The InChIKey is OIFRHWUQUAYMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O2S/c29-22-1-2-23-20(3-7-30-23)28(22)25-15-21-24(33-11-13-36-14-12-33)16-32(17-26(21)37-25)18-31-8-4-19(5-9-31)34-10-6-27(34)35/h1-3,7,15-16,19,30H,4-6,8-14,17-18H2.
What are the key properties of 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?
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 has a molecular weight of 521.66 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 68784991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).