[4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-fluorophenyl)methanone

C20H11F3N2O — CID 11348729

IUPAC[4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1c[nH]c2nccc(-c3cc(F)cc(F)c3)c12
InChIInChI=1S/C20H11F3N2O/c21-13-3-1-2-11(6-13)19(26)17-10-25-20-18(17)16(4-5-24-20)12-7-14(22)9-15(23)8-12/h1-10H,(H,24,25)
InChIKeyPIVHKPNEHZLCJG-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.88
Rot. Bonds3

About [4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-fluorophenyl)methanone

[4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-fluorophenyl)methanone (PubChem CID 11348729) has the molecular formula C20H11F3N2O and a molecular weight of 352.32 g/mol. Its IUPAC name is [4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-fluorophenyl)methanone
PubChem CID11348729
Molecular FormulaC20H11F3N2O
Molecular Weight352.32 g/mol
Exact Mass352.08
IUPAC Name[4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1c[nH]c2nccc(-c3cc(F)cc(F)c3)c12
InChIInChI=1S/C20H11F3N2O/c21-13-3-1-2-11(6-13)19(26)17-10-25-20-18(17)16(4-5-24-20)12-7-14(22)9-15(23)8-12/h1-10H,(H,24,25)
InChIKeyPIVHKPNEHZLCJG-UHFFFAOYSA-N
XLogP4.88
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxyphenyl)-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 143385108
(3-methoxyphenyl)-[4-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 143071850
(5-fluoro-2-methylphenyl)-[4-(3-methylsulfinylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 143384660
(3-bromo-5-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512642
3-[3-[3-(3-methoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]prop-2-enoic acid
CID 67006154
[4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine
CID 170449805
(4-chloro-3-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 107998394
(4-chlorophenyl)-[4-[3-(methylsulfanylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 143384757
1-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]propan-2-one
CID 58086102
(3-amino-4-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512800
1-(3-fluorophenyl)-3-[3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea
CID 58086684
(5-chloro-2-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512689

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-fluorophenyl)methanone (CID 11348729) is [4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)c1c[nH]c2nccc(-c3cc(F)cc(F)c3)c12.
What is the InChIKey of [4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-fluorophenyl)methanone?
The InChIKey is PIVHKPNEHZLCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N2O/c21-13-3-1-2-11(6-13)19(26)17-10-25-20-18(17)16(4-5-24-20)12-7-14(22)9-15(23)8-12/h1-10H,(H,24,25).
What are the key properties of [4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-fluorophenyl)methanone?
[4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-fluorophenyl)methanone has a molecular weight of 352.32 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 11348729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).