(2,6-difluorophenyl)-(5-quinolin-7-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C23H13F2N3O — CID 141301511

IUPAC(2,6-difluorophenyl)-(5-quinolin-7-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1c(F)cccc1F)c1c[nH]c2ncc(-c3ccc4cccnc4c3)cc12
InChIInChI=1S/C23H13F2N3O/c24-18-4-1-5-19(25)21(18)22(29)17-12-28-23-16(17)9-15(11-27-23)14-7-6-13-3-2-8-26-20(13)10-14/h1-12H,(H,27,28)
InChIKeyZNAYLKXRYZCYRW-UHFFFAOYSA-N
MW385.37 g/mol
LogP5.29
Rot. Bonds3

About (2,6-difluorophenyl)-(5-quinolin-7-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

(2,6-difluorophenyl)-(5-quinolin-7-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 141301511) has the molecular formula C23H13F2N3O and a molecular weight of 385.37 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(5-quinolin-7-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(5-quinolin-7-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID141301511
Molecular FormulaC23H13F2N3O
Molecular Weight385.37 g/mol
Exact Mass385.10
IUPAC Name(2,6-difluorophenyl)-(5-quinolin-7-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1c(F)cccc1F)c1c[nH]c2ncc(-c3ccc4cccnc4c3)cc12
InChIInChI=1S/C23H13F2N3O/c24-18-4-1-5-19(25)21(18)22(29)17-12-28-23-16(17)9-15(11-27-23)14-7-6-13-3-2-8-26-20(13)10-14/h1-12H,(H,27,28)
InChIKeyZNAYLKXRYZCYRW-UHFFFAOYSA-N
XLogP5.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.37
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-difluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 163364698
(2,6-difluoro-3-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58065981
(3-amino-2,6-difluorophenyl)-(5-quinazolin-6-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 89103743
(3-amino-2-chloro-6-fluorophenyl)-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 68750642
1-benzothiophene-2-thiol;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluorophenyl)methanone
CID 143712064
2,4-difluoro-3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide
CID 67375509
[5-(2-aminopyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2,6-difluoro-3-[(3-fluorocyclohexa-1,3-dien-1-yl)sulfanylamino]phenyl]methanone
CID 123285377
N-[3-[3-(2,6-difluoro-3-methoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 58087697
[2,6-difluoro-3-(propylsulfanylamino)phenyl]-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 144848017
(5-fluoro-2-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 11461682
N-[3-[5-(1,2-dimethylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfinamide
CID 123623814
N-[3-[3-[3-(difluoromethoxy)-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 58086333

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(5-quinolin-7-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (2,6-difluorophenyl)-(5-quinolin-7-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 141301511) is (2,6-difluorophenyl)-(5-quinolin-7-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (2,6-difluorophenyl)-(5-quinolin-7-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (2,6-difluorophenyl)-(5-quinolin-7-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is O=C(c1c(F)cccc1F)c1c[nH]c2ncc(-c3ccc4cccnc4c3)cc12.
What is the InChIKey of (2,6-difluorophenyl)-(5-quinolin-7-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is ZNAYLKXRYZCYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F2N3O/c24-18-4-1-5-19(25)21(18)22(29)17-12-28-23-16(17)9-15(11-27-23)14-7-6-13-3-2-8-26-20(13)10-14/h1-12H,(H,27,28).
What are the key properties of (2,6-difluorophenyl)-(5-quinolin-7-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
(2,6-difluorophenyl)-(5-quinolin-7-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 385.37 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(5-quinolin-7-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 141301511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).