(5-fluoro-2-methylphenyl)-[4-(3-methylsulfinylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone

C22H17FN2O2S — CID 143384660

IUPAC(5-fluoro-2-methylphenyl)-[4-(3-methylsulfinylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
SMILESCc1ccc(F)cc1C(=O)c1c[nH]c2nccc(-c3cccc(S(C)=O)c3)c12
InChIInChI=1S/C22H17FN2O2S/c1-13-6-7-15(23)11-18(13)21(26)19-12-25-22-20(19)17(8-9-24-22)14-4-3-5-16(10-14)28(2)27/h3-12H,1-2H3,(H,24,25)
InChIKeyYDRFWJHEANCDPU-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.65
Rot. Bonds4

About (5-fluoro-2-methylphenyl)-[4-(3-methylsulfinylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone

(5-fluoro-2-methylphenyl)-[4-(3-methylsulfinylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone (PubChem CID 143384660) has the molecular formula C22H17FN2O2S and a molecular weight of 392.46 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-[4-(3-methylsulfinylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-[4-(3-methylsulfinylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
PubChem CID143384660
Molecular FormulaC22H17FN2O2S
Molecular Weight392.46 g/mol
Exact Mass392.10
IUPAC Name(5-fluoro-2-methylphenyl)-[4-(3-methylsulfinylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
SMILESCc1ccc(F)cc1C(=O)c1c[nH]c2nccc(-c3cccc(S(C)=O)c3)c12
InChIInChI=1S/C22H17FN2O2S/c1-13-6-7-15(23)11-18(13)21(26)19-12-25-22-20(19)17(8-9-24-22)14-4-3-5-16(10-14)28(2)27/h3-12H,1-2H3,(H,24,25)
InChIKeyYDRFWJHEANCDPU-UHFFFAOYSA-N
XLogP4.65
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-fluorophenyl)methanone
CID 11348729
(5-fluoro-2-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 11461682
N-[3-[3-(2,3-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanesulfinamide
CID 143071890
1-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]propan-2-one
CID 58086102
(3-methoxyphenyl)-[4-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 143071850
N-[3-[3-(5-fluoro-2-methylbenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 11339236
(4-chlorophenyl)-[4-[3-(methylsulfanylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 143384757
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
(2,4-dimethyl-2H-imidazol-1-ium-1-yl)-[4-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 59506860
4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 82376080
(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 (5-fluoro-2-methylphenyl)-[4-(3-methylsulfinylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The IUPAC name of (5-fluoro-2-methylphenyl)-[4-(3-methylsulfinylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone (CID 143384660) is (5-fluoro-2-methylphenyl)-[4-(3-methylsulfinylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-[4-(3-methylsulfinylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The canonical SMILES for (5-fluoro-2-methylphenyl)-[4-(3-methylsulfinylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone is Cc1ccc(F)cc1C(=O)c1c[nH]c2nccc(-c3cccc(S(C)=O)c3)c12.
What is the InChIKey of (5-fluoro-2-methylphenyl)-[4-(3-methylsulfinylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The InChIKey is YDRFWJHEANCDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2S/c1-13-6-7-15(23)11-18(13)21(26)19-12-25-22-20(19)17(8-9-24-22)14-4-3-5-16(10-14)28(2)27/h3-12H,1-2H3,(H,24,25).
What are the key properties of (5-fluoro-2-methylphenyl)-[4-(3-methylsulfinylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
(5-fluoro-2-methylphenyl)-[4-(3-methylsulfinylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone has a molecular weight of 392.46 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-[4-(3-methylsulfinylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone is sourced from PubChem (CID 143384660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).