4-[2-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxyindol-1-yl]ethyl]morpholine

C23H24ClFN4O3 — CID 67147688

IUPAC4-[2-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxyindol-1-yl]ethyl]morpholine
SMILESCOc1cc2c(-c3cc4c(Cl)c(F)cnc4[nH]3)cn(CCN3CCOCC3)c2cc1OC
InChIInChI=1S/C23H24ClFN4O3/c1-30-20-10-14-16(18-9-15-22(24)17(25)12-26-23(15)27-18)13-29(19(14)11-21(20)31-2)4-3-28-5-7-32-8-6-28/h9-13H,3-8H2,1-2H3,(H,26,27)
InChIKeyRYFFTDVZTNOIHS-UHFFFAOYSA-N
MW458.92 g/mol
LogP4.33
Rot. Bonds6

About 4-[2-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxyindol-1-yl]ethyl]morpholine

4-[2-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxyindol-1-yl]ethyl]morpholine (PubChem CID 67147688) has the molecular formula C23H24ClFN4O3 and a molecular weight of 458.92 g/mol. Its IUPAC name is 4-[2-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxyindol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxyindol-1-yl]ethyl]morpholine
PubChem CID67147688
Molecular FormulaC23H24ClFN4O3
Molecular Weight458.92 g/mol
Exact Mass458.15
IUPAC Name4-[2-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxyindol-1-yl]ethyl]morpholine
SMILESCOc1cc2c(-c3cc4c(Cl)c(F)cnc4[nH]3)cn(CCN3CCOCC3)c2cc1OC
InChIInChI=1S/C23H24ClFN4O3/c1-30-20-10-14-16(18-9-15-22(24)17(25)12-26-23(15)27-18)13-29(19(14)11-21(20)31-2)4-3-28-5-7-32-8-6-28/h9-13H,3-8H2,1-2H3,(H,26,27)
InChIKeyRYFFTDVZTNOIHS-UHFFFAOYSA-N
XLogP4.33
TPSA64.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.92
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxyindol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxyindol-1-yl]ethyl]morpholine (CID 67147688) is 4-[2-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxyindol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxyindol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxyindol-1-yl]ethyl]morpholine is COc1cc2c(-c3cc4c(Cl)c(F)cnc4[nH]3)cn(CCN3CCOCC3)c2cc1OC.
What is the InChIKey of 4-[2-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxyindol-1-yl]ethyl]morpholine?
The InChIKey is RYFFTDVZTNOIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O3/c1-30-20-10-14-16(18-9-15-22(24)17(25)12-26-23(15)27-18)13-29(19(14)11-21(20)31-2)4-3-28-5-7-32-8-6-28/h9-13H,3-8H2,1-2H3,(H,26,27).
What are the key properties of 4-[2-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxyindol-1-yl]ethyl]morpholine?
4-[2-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxyindol-1-yl]ethyl]morpholine has a molecular weight of 458.92 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxyindol-1-yl]ethyl]morpholine is sourced from PubChem (CID 67147688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).