4-[4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-phenylphenyl]-1,3,5-trimethylpiperidin-4-ol

C27H28FN3O — CID 170437124

IUPAC4-[4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-phenylphenyl]-1,3,5-trimethylpiperidin-4-ol
SMILESCC1CN(C)CC(C)C1(O)c1ccc(-c2ccnc3[nH]cc(F)c23)cc1-c1ccccc1
InChIInChI=1S/C27H28FN3O/c1-17-15-31(3)16-18(2)27(17,32)23-10-9-20(13-22(23)19-7-5-4-6-8-19)21-11-12-29-26-25(21)24(28)14-30-26/h4-14,17-18,32H,15-16H2,1-3H3,(H,29,30)
InChIKeyVTMFOGVGWVOSHX-UHFFFAOYSA-N
MW429.54 g/mol
LogP5.44
Rot. Bonds3

About 4-[4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-phenylphenyl]-1,3,5-trimethylpiperidin-4-ol

4-[4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-phenylphenyl]-1,3,5-trimethylpiperidin-4-ol (PubChem CID 170437124) has the molecular formula C27H28FN3O and a molecular weight of 429.54 g/mol. Its IUPAC name is 4-[4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-phenylphenyl]-1,3,5-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-phenylphenyl]-1,3,5-trimethylpiperidin-4-ol
PubChem CID170437124
Molecular FormulaC27H28FN3O
Molecular Weight429.54 g/mol
Exact Mass429.22
IUPAC Name4-[4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-phenylphenyl]-1,3,5-trimethylpiperidin-4-ol
SMILESCC1CN(C)CC(C)C1(O)c1ccc(-c2ccnc3[nH]cc(F)c23)cc1-c1ccccc1
InChIInChI=1S/C27H28FN3O/c1-17-15-31(3)16-18(2)27(17,32)23-10-9-20(13-22(23)19-7-5-4-6-8-19)21-11-12-29-26-25(21)24(28)14-30-26/h4-14,17-18,32H,15-16H2,1-3H3,(H,29,30)
InChIKeyVTMFOGVGWVOSHX-UHFFFAOYSA-N
XLogP5.44
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.54
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-phenylphenyl]-1,3,5-trimethylpiperidin-4-ol with MolForge

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Related Compounds

2,6-difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 145986466
[4-[5-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-(1-methylpyrrolidin-3-yl)methanol
CID 146274751
Csf1R-IN-15
CID 168069186
4-(4-iodophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-4-ol;oxalic acid
CID 49798796
2,6-difluoro-4-[4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 145986826
4-[4-[(3S)-3-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenol
CID 72706400
[3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methanol
CID 72706459
[2-fluoro-5-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methanol
CID 72706461
[2-fluoro-3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methanol
CID 72706580
{3-[4-(dimethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl}methanol
CID 72706842
(3-{4-[(3S)-3-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}phenyl)methanol
CID 72706843
US9796708, Example 317
CID 90420255

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-phenylphenyl]-1,3,5-trimethylpiperidin-4-ol?
The IUPAC name of 4-[4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-phenylphenyl]-1,3,5-trimethylpiperidin-4-ol (CID 170437124) is 4-[4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-phenylphenyl]-1,3,5-trimethylpiperidin-4-ol.
What is the SMILES notation for 4-[4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-phenylphenyl]-1,3,5-trimethylpiperidin-4-ol?
The canonical SMILES for 4-[4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-phenylphenyl]-1,3,5-trimethylpiperidin-4-ol is CC1CN(C)CC(C)C1(O)c1ccc(-c2ccnc3[nH]cc(F)c23)cc1-c1ccccc1.
What is the InChIKey of 4-[4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-phenylphenyl]-1,3,5-trimethylpiperidin-4-ol?
The InChIKey is VTMFOGVGWVOSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O/c1-17-15-31(3)16-18(2)27(17,32)23-10-9-20(13-22(23)19-7-5-4-6-8-19)21-11-12-29-26-25(21)24(28)14-30-26/h4-14,17-18,32H,15-16H2,1-3H3,(H,29,30).
What are the key properties of 4-[4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-phenylphenyl]-1,3,5-trimethylpiperidin-4-ol?
4-[4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-phenylphenyl]-1,3,5-trimethylpiperidin-4-ol has a molecular weight of 429.54 g/mol, XLogP of 5.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-phenylphenyl]-1,3,5-trimethylpiperidin-4-ol is sourced from PubChem (CID 170437124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).