4-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrrolidin-2-one

C23H23FN4O2 — CID 90420578

IUPAC4-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrrolidin-2-one
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C4CNC(=O)C4)CC3)cc12
InChIInChI=1S/C23H23FN4O2/c1-30-21-3-2-15(24)10-18(21)17-4-7-25-23-19(17)12-20(27-23)14-5-8-28(9-6-14)16-11-22(29)26-13-16/h2-5,7,10,12,16H,6,8-9,11,13H2,1H3,(H,25,27)(H,26,29)
InChIKeyUOLSHNYYDQIYQT-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.36
Rot. Bonds4

About 4-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrrolidin-2-one

4-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrrolidin-2-one (PubChem CID 90420578) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 4-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrrolidin-2-one
PubChem CID90420578
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name4-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrrolidin-2-one
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C4CNC(=O)C4)CC3)cc12
InChIInChI=1S/C23H23FN4O2/c1-30-21-3-2-15(24)10-18(21)17-4-7-25-23-19(17)12-20(27-23)14-5-8-28(9-6-14)16-11-22(29)26-13-16/h2-5,7,10,12,16H,6,8-9,11,13H2,1H3,(H,25,27)(H,26,29)
InChIKeyUOLSHNYYDQIYQT-UHFFFAOYSA-N
XLogP3.36
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrrolidin-2-one?
The IUPAC name of 4-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrrolidin-2-one (CID 90420578) is 4-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrrolidin-2-one is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C4CNC(=O)C4)CC3)cc12.
What is the InChIKey of 4-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrrolidin-2-one?
The InChIKey is UOLSHNYYDQIYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-30-21-3-2-15(24)10-18(21)17-4-7-25-23-19(17)12-20(27-23)14-5-8-28(9-6-14)16-11-22(29)26-13-16/h2-5,7,10,12,16H,6,8-9,11,13H2,1H3,(H,25,27)(H,26,29).
What are the key properties of 4-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrrolidin-2-one?
4-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrrolidin-2-one has a molecular weight of 406.46 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 90420578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).