4-[3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)-1H-indol-7-yl]morpholin-3-one

C21H19ClN4O2 — CID 146536560

IUPAC4-[3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)-1H-indol-7-yl]morpholin-3-one
SMILESO=C1COCCN1c1cccc2c(-c3cnc4c(c3Cl)C3(CC3)CN4)c[nH]c12
InChIInChI=1S/C21H19ClN4O2/c22-18-14(9-24-20-17(18)21(4-5-21)11-25-20)13-8-23-19-12(13)2-1-3-15(19)26-6-7-28-10-16(26)27/h1-3,8-9,23H,4-7,10-11H2,(H,24,25)
InChIKeyRBJPOXCXWHCYBJ-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.70
Rot. Bonds2

About 4-[3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)-1H-indol-7-yl]morpholin-3-one

4-[3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)-1H-indol-7-yl]morpholin-3-one (PubChem CID 146536560) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 4-[3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)-1H-indol-7-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)-1H-indol-7-yl]morpholin-3-one
PubChem CID146536560
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name4-[3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)-1H-indol-7-yl]morpholin-3-one
SMILESO=C1COCCN1c1cccc2c(-c3cnc4c(c3Cl)C3(CC3)CN4)c[nH]c12
InChIInChI=1S/C21H19ClN4O2/c22-18-14(9-24-20-17(18)21(4-5-21)11-25-20)13-8-23-19-12(13)2-1-3-15(19)26-6-7-28-10-16(26)27/h1-3,8-9,23H,4-7,10-11H2,(H,24,25)
InChIKeyRBJPOXCXWHCYBJ-UHFFFAOYSA-N
XLogP3.70
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)-1H-indol-7-yl]morpholin-3-one?
The IUPAC name of 4-[3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)-1H-indol-7-yl]morpholin-3-one (CID 146536560) is 4-[3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)-1H-indol-7-yl]morpholin-3-one.
What is the SMILES notation for 4-[3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)-1H-indol-7-yl]morpholin-3-one?
The canonical SMILES for 4-[3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)-1H-indol-7-yl]morpholin-3-one is O=C1COCCN1c1cccc2c(-c3cnc4c(c3Cl)C3(CC3)CN4)c[nH]c12.
What is the InChIKey of 4-[3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)-1H-indol-7-yl]morpholin-3-one?
The InChIKey is RBJPOXCXWHCYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c22-18-14(9-24-20-17(18)21(4-5-21)11-25-20)13-8-23-19-12(13)2-1-3-15(19)26-6-7-28-10-16(26)27/h1-3,8-9,23H,4-7,10-11H2,(H,24,25).
What are the key properties of 4-[3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)-1H-indol-7-yl]morpholin-3-one?
4-[3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)-1H-indol-7-yl]morpholin-3-one has a molecular weight of 394.86 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)-1H-indol-7-yl]morpholin-3-one is sourced from PubChem (CID 146536560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).