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

C18H10F2N2OS — CID 11450654

IUPAC(2,5-difluorophenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1cc(F)ccc1F)c1c[nH]c2ncc(-c3ccsc3)cc12
InChIInChI=1S/C18H10F2N2OS/c19-12-1-2-16(20)14(6-12)17(23)15-8-22-18-13(15)5-11(7-21-18)10-3-4-24-9-10/h1-9H,(H,21,22)
InChIKeyWPNCDTHVLYRAFN-UHFFFAOYSA-N
MW340.35 g/mol
LogP4.80
Rot. Bonds3

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

(2,5-difluorophenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 11450654) has the molecular formula C18H10F2N2OS and a molecular weight of 340.35 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID11450654
Molecular FormulaC18H10F2N2OS
Molecular Weight340.35 g/mol
Exact Mass340.05
IUPAC Name(2,5-difluorophenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1cc(F)ccc1F)c1c[nH]c2ncc(-c3ccsc3)cc12
InChIInChI=1S/C18H10F2N2OS/c19-12-1-2-16(20)14(6-12)17(23)15-8-22-18-13(15)5-11(7-21-18)10-3-4-24-9-10/h1-9H,(H,21,22)
InChIKeyWPNCDTHVLYRAFN-UHFFFAOYSA-N
XLogP4.80
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-2-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 134450440
(5-methyl-1,2-oxazol-3-yl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 11209054
4,6-difluoro-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzene-1,3-diol
CID 118967684
(5-fluoro-2-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 11461682
(3-amino-2-chloro-6-fluorophenyl)-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 68750642
2-(2-fluoro-5-hydroxyphenyl)-5,5-dimethyl-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexane-1,3-dione
CID 67005815
N-[3-[3-(5-fluoro-2-methylbenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 11339236
[5-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone
CID 58086573
N-[2,4-difluoro-3-[5-(1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide
CID 53262165
4-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide
CID 68753226
N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]methanesulfonamide
CID 135248889
[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-pyrrolidin-1-ylphenyl)methanone
CID 90116750

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (2,5-difluorophenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 11450654) is (2,5-difluorophenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (2,5-difluorophenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (2,5-difluorophenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is O=C(c1cc(F)ccc1F)c1c[nH]c2ncc(-c3ccsc3)cc12.
What is the InChIKey of (2,5-difluorophenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is WPNCDTHVLYRAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F2N2OS/c19-12-1-2-16(20)14(6-12)17(23)15-8-22-18-13(15)5-11(7-21-18)10-3-4-24-9-10/h1-9H,(H,21,22).
What are the key properties of (2,5-difluorophenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
(2,5-difluorophenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 340.35 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 11450654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).