8-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-diazaspiro[4.5]dec-7-ene-2,4-dione

C22H19FN4O3 — CID 90420475

IUPAC8-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-diazaspiro[4.5]dec-7-ene-2,4-dione
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC4(CC3)NC(=O)NC4=O)cc12
InChIInChI=1S/C22H19FN4O3/c1-30-18-3-2-13(23)10-15(18)14-6-9-24-19-16(14)11-17(25-19)12-4-7-22(8-5-12)20(28)26-21(29)27-22/h2-4,6,9-11H,5,7-8H2,1H3,(H,24,25)(H2,26,27,28,29)
InChIKeyNDCJGGRUJVICKE-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.52
Rot. Bonds3

About 8-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-diazaspiro[4.5]dec-7-ene-2,4-dione

8-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-diazaspiro[4.5]dec-7-ene-2,4-dione (PubChem CID 90420475) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 8-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-diazaspiro[4.5]dec-7-ene-2,4-dione.

Molecular Properties

Compound Name8-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-diazaspiro[4.5]dec-7-ene-2,4-dione
PubChem CID90420475
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name8-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-diazaspiro[4.5]dec-7-ene-2,4-dione
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC4(CC3)NC(=O)NC4=O)cc12
InChIInChI=1S/C22H19FN4O3/c1-30-18-3-2-13(23)10-15(18)14-6-9-24-19-16(14)11-17(25-19)12-4-7-22(8-5-12)20(28)26-21(29)27-22/h2-4,6,9-11H,5,7-8H2,1H3,(H,24,25)(H2,26,27,28,29)
InChIKeyNDCJGGRUJVICKE-UHFFFAOYSA-N
XLogP3.52
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-diazaspiro[4.5]dec-7-ene-2,4-dione?
The IUPAC name of 8-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-diazaspiro[4.5]dec-7-ene-2,4-dione (CID 90420475) is 8-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-diazaspiro[4.5]dec-7-ene-2,4-dione.
What is the SMILES notation for 8-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-diazaspiro[4.5]dec-7-ene-2,4-dione?
The canonical SMILES for 8-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-diazaspiro[4.5]dec-7-ene-2,4-dione is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC4(CC3)NC(=O)NC4=O)cc12.
What is the InChIKey of 8-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-diazaspiro[4.5]dec-7-ene-2,4-dione?
The InChIKey is NDCJGGRUJVICKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-30-18-3-2-13(23)10-15(18)14-6-9-24-19-16(14)11-17(25-19)12-4-7-22(8-5-12)20(28)26-21(29)27-22/h2-4,6,9-11H,5,7-8H2,1H3,(H,24,25)(H2,26,27,28,29).
What are the key properties of 8-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-diazaspiro[4.5]dec-7-ene-2,4-dione?
8-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-diazaspiro[4.5]dec-7-ene-2,4-dione has a molecular weight of 406.42 g/mol, XLogP of 3.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-diazaspiro[4.5]dec-7-ene-2,4-dione is sourced from PubChem (CID 90420475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).