4-[[4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]morpholine

C26H24FN5O2 — CID 10182861

IUPAC4-[[4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]morpholine
SMILESCc1cc2c(F)c(Oc3ncnc4[nH]c(-c5ccc(CN6CCOCC6)cc5)cc34)ccc2[nH]1
InChIInChI=1S/C26H24FN5O2/c1-16-12-19-21(30-16)6-7-23(24(19)27)34-26-20-13-22(31-25(20)28-15-29-26)18-4-2-17(3-5-18)14-32-8-10-33-11-9-32/h2-7,12-13,15,30H,8-11,14H2,1H3,(H,28,29,31)
InChIKeyOUSVRYSWPGRUEW-UHFFFAOYSA-N
MW457.51 g/mol
LogP5.18
Rot. Bonds5

About 4-[[4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]morpholine

4-[[4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]morpholine (PubChem CID 10182861) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is 4-[[4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]morpholine
PubChem CID10182861
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC Name4-[[4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]morpholine
SMILESCc1cc2c(F)c(Oc3ncnc4[nH]c(-c5ccc(CN6CCOCC6)cc5)cc34)ccc2[nH]1
InChIInChI=1S/C26H24FN5O2/c1-16-12-19-21(30-16)6-7-23(24(19)27)34-26-20-13-22(31-25(20)28-15-29-26)18-4-2-17(3-5-18)14-32-8-10-33-11-9-32/h2-7,12-13,15,30H,8-11,14H2,1H3,(H,28,29,31)
InChIKeyOUSVRYSWPGRUEW-UHFFFAOYSA-N
XLogP5.18
TPSA79.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.51
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]morpholine (CID 10182861) is 4-[[4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]morpholine is Cc1cc2c(F)c(Oc3ncnc4[nH]c(-c5ccc(CN6CCOCC6)cc5)cc34)ccc2[nH]1.
What is the InChIKey of 4-[[4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]morpholine?
The InChIKey is OUSVRYSWPGRUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2/c1-16-12-19-21(30-16)6-7-23(24(19)27)34-26-20-13-22(31-25(20)28-15-29-26)18-4-2-17(3-5-18)14-32-8-10-33-11-9-32/h2-7,12-13,15,30H,8-11,14H2,1H3,(H,28,29,31).
What are the key properties of 4-[[4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]morpholine?
4-[[4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]morpholine has a molecular weight of 457.51 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 10182861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).