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

C19H19F2N3O — CID 90412385

IUPAC5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3CCNCC3)cc12
InChIInChI=1S/C19H19F2N3O/c1-25-17-3-2-12(20)8-13(17)18-14-9-16(11-4-6-22-7-5-11)24-19(14)23-10-15(18)21/h2-3,8-11,22H,4-7H2,1H3,(H,23,24)
InChIKeyDICGPMBLNBSTFA-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.98
Rot. Bonds3

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

5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90412385) has the molecular formula C19H19F2N3O and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID90412385
Molecular FormulaC19H19F2N3O
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3CCNCC3)cc12
InChIInChI=1S/C19H19F2N3O/c1-25-17-3-2-12(20)8-13(17)18-14-9-16(11-4-6-22-7-5-11)24-19(14)23-10-15(18)21/h2-3,8-11,22H,4-7H2,1H3,(H,23,24)
InChIKeyDICGPMBLNBSTFA-UHFFFAOYSA-N
XLogP3.98
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;methane
CID 170620327
methyl 2-[4-[4-[5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]cyclohexyl]acetate
CID 90420397
2-[4-[5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone
CID 90412618
4-(4-fluorophenyl)-2-piperidin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 71504189
2-(azepan-3-yl)-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 90413024
2-[4-[5-cyano-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]acetamide
CID 118897199
5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90419558
4-(5-fluoro-2-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90412305
2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanol
CID 90412418
N-ethyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-sulfonamide
CID 90420133
3-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohexyl]amino]propane-1,2-diol
CID 90412932
N-[(2,5-difluorophenyl)methyl]-4-fluoro-3-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)aniline
CID 90420324

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine (CID 90412385) is 5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine is COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3CCNCC3)cc12.
What is the InChIKey of 5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is DICGPMBLNBSTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O/c1-25-17-3-2-12(20)8-13(17)18-14-9-16(11-4-6-22-7-5-11)24-19(14)23-10-15(18)21/h2-3,8-11,22H,4-7H2,1H3,(H,23,24).
What are the key properties of 5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 343.38 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90412385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).