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1-[6-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one

C19H11F2N5O — CID 155556807

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[6-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one
SMILESO=c1[nH]c2cnccc2n1-c1cc(-c2ccc(F)cc2F)nc2[nH]ccc12
InChIInChI=1S/C19H11F2N5O/c20-10-1-2-11(13(21)7-10)14-8-17(12-3-6-23-18(12)24-14)26-16-4-5-22-9-15(16)25-19(26)27/h1-9H,(H,23,24)(H,25,27)
InChIKeyZNDUISIIUWWBBH-UHFFFAOYSA-N
MW363.33 g/mol
LogP3.54
Rot. Bonds2

About 1-[6-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one

1-[6-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 155556807) has the molecular formula C19H11F2N5O and a molecular weight of 363.33 g/mol. Its IUPAC name is 1-[6-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-[6-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID155556807
Molecular FormulaC19H11F2N5O
Molecular Weight363.33 g/mol
Exact Mass363.09
IUPAC Name1-[6-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one
SMILESO=c1[nH]c2cnccc2n1-c1cc(-c2ccc(F)cc2F)nc2[nH]ccc12
InChIInChI=1S/C19H11F2N5O/c20-10-1-2-11(13(21)7-10)14-8-17(12-3-6-23-18(12)24-14)26-16-4-5-22-9-15(16)25-19(26)27/h1-9H,(H,23,24)(H,25,27)
InChIKeyZNDUISIIUWWBBH-UHFFFAOYSA-N
XLogP3.54
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-[6-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one (CID 155556807) is 1-[6-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-[6-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-[6-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one is O=c1[nH]c2cnccc2n1-c1cc(-c2ccc(F)cc2F)nc2[nH]ccc12.
What is the InChIKey of 1-[6-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is ZNDUISIIUWWBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F2N5O/c20-10-1-2-11(13(21)7-10)14-8-17(12-3-6-23-18(12)24-14)26-16-4-5-22-9-15(16)25-19(26)27/h1-9H,(H,23,24)(H,25,27).
What are the key properties of 1-[6-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one?
1-[6-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 363.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 155556807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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