2-(3,6-dihydro-2H-thiopyran-4-yl)-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

C19H17FN2OS — CID 90420263

IUPAC2-(3,6-dihydro-2H-thiopyran-4-yl)-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCSCC3)cc12
InChIInChI=1S/C19H17FN2OS/c1-23-18-3-2-13(20)10-15(18)14-4-7-21-19-16(14)11-17(22-19)12-5-8-24-9-6-12/h2-5,7,10-11H,6,8-9H2,1H3,(H,21,22)
InChIKeyKNERBXHDDPGXTO-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.90
Rot. Bonds3

About 2-(3,6-dihydro-2H-thiopyran-4-yl)-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

2-(3,6-dihydro-2H-thiopyran-4-yl)-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90420263) has the molecular formula C19H17FN2OS and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-thiopyran-4-yl)-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-thiopyran-4-yl)-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID90420263
Molecular FormulaC19H17FN2OS
Molecular Weight340.42 g/mol
Exact Mass340.10
IUPAC Name2-(3,6-dihydro-2H-thiopyran-4-yl)-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCSCC3)cc12
InChIInChI=1S/C19H17FN2OS/c1-23-18-3-2-13(20)10-15(18)14-4-7-21-19-16(14)11-17(22-19)12-5-8-24-9-6-12/h2-5,7,10-11H,6,8-9H2,1H3,(H,21,22)
InChIKeyKNERBXHDDPGXTO-UHFFFAOYSA-N
XLogP4.90
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
6-{4-[2-(Dimethylamino)ethoxy]phenyl}-N-(1,3-Dithiolan-2-Ylmethyl)-5-Phenyl-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine
CID 11576813
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787
Rwj-68354
CID 9819053
N2-(2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)ethyl)-N4-butyl-N6-(2-methoxyphenethyl)-N4-methyl-1,3,5-triazine-2,4,6-triamine
CID 24767906
5-[(5-Methoxy-1h-Pyrrolo[2,3-B]pyridin-3-Yl)methyl]-N-[4-(Trifluoromethyl)benzyl]pyridin-2-Amine
CID 59593266
trans-4-[4-[4-(5-Fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1(2H)-pyridinyl]cyclohexaneacetic acid
CID 90411536
3-(3-methoxybenzyl)-1H-pyrrolo(2,3-b)pyridine
CID 24180722
6-Amino-2-(4-fluorophenyl)-4-benzyloxy-3-(4-pyridyl)-1h-pyrrolo[2,3-b]pyridine
CID 10386848
(r)-6-(4-Methoxyphenyl)-n-(1-phenylethyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
CID 53759588

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-thiopyran-4-yl)-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(3,6-dihydro-2H-thiopyran-4-yl)-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 90420263) is 2-(3,6-dihydro-2H-thiopyran-4-yl)-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(3,6-dihydro-2H-thiopyran-4-yl)-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(3,6-dihydro-2H-thiopyran-4-yl)-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCSCC3)cc12.
What is the InChIKey of 2-(3,6-dihydro-2H-thiopyran-4-yl)-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KNERBXHDDPGXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS/c1-23-18-3-2-13(20)10-15(18)14-4-7-21-19-16(14)11-17(22-19)12-5-8-24-9-6-12/h2-5,7,10-11H,6,8-9H2,1H3,(H,21,22).
What are the key properties of 2-(3,6-dihydro-2H-thiopyran-4-yl)-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
2-(3,6-dihydro-2H-thiopyran-4-yl)-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 340.42 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-thiopyran-4-yl)-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90420263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).