5-[[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-methoxy-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one

C30H24FN5O3 — CID 67956925

IUPAC5-[[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-methoxy-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SMILESCOc1cc(C(=O)N2CCc3cc(F)ccc32)cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)n1
InChIInChI=1S/C30H24FN5O3/c1-39-26-14-19(28(37)36-10-8-17-11-21(31)5-7-24(17)36)13-25(34-26)33-22-6-4-18-15-30(16-20(18)12-22)23-3-2-9-32-27(23)35-29(30)38/h2-7,9,11-14H,8,10,15-16H2,1H3,(H,33,34)(H,32,35,38)
InChIKeyRHNNDRCSJAXTDG-UHFFFAOYSA-N
MW521.55 g/mol
LogP4.56
Rot. Bonds4

About 5-[[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-methoxy-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one

5-[[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-methoxy-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one (PubChem CID 67956925) has the molecular formula C30H24FN5O3 and a molecular weight of 521.55 g/mol. Its IUPAC name is 5-[[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-methoxy-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one.

Molecular Properties

Compound Name5-[[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-methoxy-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
PubChem CID67956925
Molecular FormulaC30H24FN5O3
Molecular Weight521.55 g/mol
Exact Mass521.19
IUPAC Name5-[[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-methoxy-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SMILESCOc1cc(C(=O)N2CCc3cc(F)ccc32)cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)n1
InChIInChI=1S/C30H24FN5O3/c1-39-26-14-19(28(37)36-10-8-17-11-21(31)5-7-24(17)36)13-25(34-26)33-22-6-4-18-15-30(16-20(18)12-22)23-3-2-9-32-27(23)35-29(30)38/h2-7,9,11-14H,8,10,15-16H2,1H3,(H,33,34)(H,32,35,38)
InChIKeyRHNNDRCSJAXTDG-UHFFFAOYSA-N
XLogP4.56
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.55
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-methoxy-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-methoxy-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The IUPAC name of 5-[[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-methoxy-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one (CID 67956925) is 5-[[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-methoxy-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one.
What is the SMILES notation for 5-[[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-methoxy-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The canonical SMILES for 5-[[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-methoxy-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one is COc1cc(C(=O)N2CCc3cc(F)ccc32)cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)n1.
What is the InChIKey of 5-[[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-methoxy-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The InChIKey is RHNNDRCSJAXTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN5O3/c1-39-26-14-19(28(37)36-10-8-17-11-21(31)5-7-24(17)36)13-25(34-26)33-22-6-4-18-15-30(16-20(18)12-22)23-3-2-9-32-27(23)35-29(30)38/h2-7,9,11-14H,8,10,15-16H2,1H3,(H,33,34)(H,32,35,38).
What are the key properties of 5-[[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-methoxy-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
5-[[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-methoxy-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one has a molecular weight of 521.55 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-methoxy-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one is sourced from PubChem (CID 67956925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).