3-[[6-[2-(4-methylphenyl)propyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone;2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethanone

C67H58F3N9O2 — CID 161035345

IUPAC3-[[6-[2-(4-methylphenyl)propyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone;2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(C(=O)Cc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.Cc1ccc(C(C)Cc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.O=C(Cc1ccc(Cc2c[nH]c3ncccc23)cn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H23N3.C22H16F3N3O.C22H19N3O/c1-16-5-8-19(9-6-16)17(2)12-21-10-7-18(14-25-21)13-20-15-26-23-22(20)4-3-11-24-23;23-22(24,25)17-6-4-15(5-7-17)20(29)11-18-8-3-14(12-27-18)10-16-13-28-21-19(16)2-1-9-26-21;1-15-4-7-17(8-5-15)21(26)12-19-9-6-16(13-24-19)11-18-14-25-22-20(18)3-2-10-23-22/h3-11,14-15,17H,12-13H2,1-2H3,(H,24,26);1-9,12-13H,10-11H2,(H,26,28);2-10,13-14H,11-12H2,1H3,(H,23,25)
InChIKeyUAEHGOMNJSOZBP-UHFFFAOYSA-N
MW1078.26 g/mol
LogP14.48
Rot. Bonds15

About 3-[[6-[2-(4-methylphenyl)propyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone;2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethanone

3-[[6-[2-(4-methylphenyl)propyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone;2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 161035345) has the molecular formula C67H58F3N9O2 and a molecular weight of 1078.26 g/mol. Its IUPAC name is 3-[[6-[2-(4-methylphenyl)propyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone;2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name3-[[6-[2-(4-methylphenyl)propyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone;2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID161035345
Molecular FormulaC67H58F3N9O2
Molecular Weight1078.26 g/mol
Exact Mass1077.47
IUPAC Name3-[[6-[2-(4-methylphenyl)propyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone;2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(C(=O)Cc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.Cc1ccc(C(C)Cc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.O=C(Cc1ccc(Cc2c[nH]c3ncccc23)cn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H23N3.C22H16F3N3O.C22H19N3O/c1-16-5-8-19(9-6-16)17(2)12-21-10-7-18(14-25-21)13-20-15-26-23-22(20)4-3-11-24-23;23-22(24,25)17-6-4-15(5-7-17)20(29)11-18-8-3-14(12-27-18)10-16-13-28-21-19(16)2-1-9-26-21;1-15-4-7-17(8-5-15)21(26)12-19-9-6-16(13-24-19)11-18-14-25-22-20(18)3-2-10-23-22/h3-11,14-15,17H,12-13H2,1-2H3,(H,24,26);1-9,12-13H,10-11H2,(H,26,28);2-10,13-14H,11-12H2,1H3,(H,23,25)
InChIKeyUAEHGOMNJSOZBP-UHFFFAOYSA-N
XLogP14.48
TPSA158.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001078.26
LogP ≤ 514.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[[6-[2-(4-methylphenyl)propyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone;2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethanone with MolForge

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Related Compounds

(E)-3-[3-(4-acetylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 142737578
4-[[4-fluoro-3-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]anilino]methyl]benzamide
CID 90413310
7-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino]-4-(6-(trifluorometh-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
CID 156164104
US20250340551, Example 1m145
CID 177353576
1-[(R)-2-Methyl-4-(1-phenyl-methanoyl)-piperazin-1-yl]-2-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-ethane-1,2-dione and 1-[(R)-2-methyl-4-(1-phenyl-methanoyl)-piperazin-1-yl]-2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-ethane-1,2-dione
CID 5495809
1-[(R)-2-Methyl-4-(1-phenyl-methanoyl)-piperazin-1-yl]-2-(6-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-ethane-1,2-dione and 1-[(R)-2-methyl-4-(1-phenyl-methanoyl)-piperazin-1-yl]-2-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-ethane-1,2-dione
CID 5495812
[4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenyl]-(2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl)methanone
CID 46917974
1-[3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 58086128
(3-dibenzylamino-2,6-difluoro-phenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-methanone
CID 58086640
1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanone
CID 58086900
2-[5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethanone
CID 58338410
1-(4-fluorophenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone
CID 58338428

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[2-(4-methylphenyl)propyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone;2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 3-[[6-[2-(4-methylphenyl)propyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone;2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethanone (CID 161035345) is 3-[[6-[2-(4-methylphenyl)propyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone;2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 3-[[6-[2-(4-methylphenyl)propyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone;2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 3-[[6-[2-(4-methylphenyl)propyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone;2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethanone is Cc1ccc(C(=O)Cc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.Cc1ccc(C(C)Cc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.O=C(Cc1ccc(Cc2c[nH]c3ncccc23)cn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[[6-[2-(4-methylphenyl)propyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone;2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is UAEHGOMNJSOZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3.C22H16F3N3O.C22H19N3O/c1-16-5-8-19(9-6-16)17(2)12-21-10-7-18(14-25-21)13-20-15-26-23-22(20)4-3-11-24-23;23-22(24,25)17-6-4-15(5-7-17)20(29)11-18-8-3-14(12-27-18)10-16-13-28-21-19(16)2-1-9-26-21;1-15-4-7-17(8-5-15)21(26)12-19-9-6-16(13-24-19)11-18-14-25-22-20(18)3-2-10-23-22/h3-11,14-15,17H,12-13H2,1-2H3,(H,24,26);1-9,12-13H,10-11H2,(H,26,28);2-10,13-14H,11-12H2,1H3,(H,23,25).
What are the key properties of 3-[[6-[2-(4-methylphenyl)propyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone;2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethanone?
3-[[6-[2-(4-methylphenyl)propyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone;2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 1078.26 g/mol, XLogP of 14.48, 15 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[2-(4-methylphenyl)propyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone;2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 161035345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).