4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2,6-dimethylpiperidin-4-ol

C20H21ClFN3O — CID 170449405

IUPAC4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2,6-dimethylpiperidin-4-ol
SMILESCC1CC(O)(c2ccc(-c3ccnc4[nH]cc(F)c34)cc2Cl)CC(C)N1
InChIInChI=1S/C20H21ClFN3O/c1-11-8-20(26,9-12(2)25-11)15-4-3-13(7-16(15)21)14-5-6-23-19-18(14)17(22)10-24-19/h3-7,10-12,25-26H,8-9H2,1-2H3,(H,23,24)
InChIKeyMHGYZYHFGWIAAI-UHFFFAOYSA-N
MW373.86 g/mol
LogP4.37
Rot. Bonds2

About 4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2,6-dimethylpiperidin-4-ol

4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2,6-dimethylpiperidin-4-ol (PubChem CID 170449405) has the molecular formula C20H21ClFN3O and a molecular weight of 373.86 g/mol. Its IUPAC name is 4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2,6-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2,6-dimethylpiperidin-4-ol
PubChem CID170449405
Molecular FormulaC20H21ClFN3O
Molecular Weight373.86 g/mol
Exact Mass373.14
IUPAC Name4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2,6-dimethylpiperidin-4-ol
SMILESCC1CC(O)(c2ccc(-c3ccnc4[nH]cc(F)c34)cc2Cl)CC(C)N1
InChIInChI=1S/C20H21ClFN3O/c1-11-8-20(26,9-12(2)25-11)15-4-3-13(7-16(15)21)14-5-6-23-19-18(14)17(22)10-24-19/h3-7,10-12,25-26H,8-9H2,1-2H3,(H,23,24)
InChIKeyMHGYZYHFGWIAAI-UHFFFAOYSA-N
XLogP4.37
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol
CID 170437249
4-[4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-phenylphenyl]-1,3,5-trimethylpiperidin-4-ol
CID 170437124
2-amino-1-[(3R,5S)-4-[4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methylphenyl]-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethanone
CID 170448917
4-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-methyl-3-pyridinyl]-1,3,5-trimethylpiperidin-4-ol
CID 170614406
3,5-dimethylpiperidin-4-ol;3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 170614405
6-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methyl-3-pyridinyl]-2-azaspiro[3.3]heptan-6-ol
CID 170614348
4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 82376080
2-amino-1-[(3R,5S)-4-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methyl-3-pyridinyl]-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethanone
CID 170449061
2-amino-1-[(3R,5S)-4-[4-(3-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-fluoro-6-methylphenyl]-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethanone
CID 170449185
4-[4-fluoro-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-1-(thian-4-yl)piperidin-4-ol
CID 170614324
3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine;1-(2-methylpropylamino)propan-2-ol
CID 170614482
(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 4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2,6-dimethylpiperidin-4-ol?
The IUPAC name of 4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2,6-dimethylpiperidin-4-ol (CID 170449405) is 4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2,6-dimethylpiperidin-4-ol.
What is the SMILES notation for 4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2,6-dimethylpiperidin-4-ol?
The canonical SMILES for 4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2,6-dimethylpiperidin-4-ol is CC1CC(O)(c2ccc(-c3ccnc4[nH]cc(F)c34)cc2Cl)CC(C)N1.
What is the InChIKey of 4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2,6-dimethylpiperidin-4-ol?
The InChIKey is MHGYZYHFGWIAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O/c1-11-8-20(26,9-12(2)25-11)15-4-3-13(7-16(15)21)14-5-6-23-19-18(14)17(22)10-24-19/h3-7,10-12,25-26H,8-9H2,1-2H3,(H,23,24).
What are the key properties of 4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2,6-dimethylpiperidin-4-ol?
4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2,6-dimethylpiperidin-4-ol has a molecular weight of 373.86 g/mol, XLogP of 4.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2,6-dimethylpiperidin-4-ol is sourced from PubChem (CID 170449405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).