[2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone;dihydrochloride

C26H27Cl2FN4O2 — CID 66922340

IUPAC[2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone;dihydrochloride
SMILESCc1cnc2c(C(=O)N3CCNCC3)c(Oc3cc(F)ccc3C)n(-c3ccccc3)c2c1.Cl.Cl
InChIInChI=1S/C26H25FN4O2.2ClH/c1-17-14-21-24(29-16-17)23(25(32)30-12-10-28-11-13-30)26(31(21)20-6-4-3-5-7-20)33-22-15-19(27)9-8-18(22)2;;/h3-9,14-16,28H,10-13H2,1-2H3;2*1H
InChIKeyGOCSDKXNHZFGBG-UHFFFAOYSA-N
MW517.43 g/mol
LogP5.46
Rot. Bonds4

About [2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone;dihydrochloride

[2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone;dihydrochloride (PubChem CID 66922340) has the molecular formula C26H27Cl2FN4O2 and a molecular weight of 517.43 g/mol. Its IUPAC name is [2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone;dihydrochloride
PubChem CID66922340
Molecular FormulaC26H27Cl2FN4O2
Molecular Weight517.43 g/mol
Exact Mass516.15
IUPAC Name[2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone;dihydrochloride
SMILESCc1cnc2c(C(=O)N3CCNCC3)c(Oc3cc(F)ccc3C)n(-c3ccccc3)c2c1.Cl.Cl
InChIInChI=1S/C26H25FN4O2.2ClH/c1-17-14-21-24(29-16-17)23(25(32)30-12-10-28-11-13-30)26(31(21)20-6-4-3-5-7-20)33-22-15-19(27)9-8-18(22)2;;/h3-9,14-16,28H,10-13H2,1-2H3;2*1H
InChIKeyGOCSDKXNHZFGBG-UHFFFAOYSA-N
XLogP5.46
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.43
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,5-difluorophenoxy)-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone
CID 56678780
[2-(5-fluoro-2-methylphenoxy)-6-methoxy-1-phenylindol-3-yl]-piperazin-1-ylmethanone
CID 52946960
[2-(5-fluoro-2-methylphenoxy)-6-methylsulfinyl-1-phenylindol-3-yl]-piperazin-1-ylmethanone
CID 143839412
[7-chloro-2-(5-fluoro-2-methylphenoxy)-1-phenylpyrrolo[2,3-c]pyridin-3-yl]-piperazin-1-ylmethanone
CID 56678526
2,2-bis[2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-3-yl]piperazine-1-carbaldehyde
CID 142763280
[7-benzyl-2-(5-fluoro-2-methylphenoxy)-1-phenylpyrrolo[2,3-c]pyridin-3-yl]-piperazin-1-ylmethanone
CID 53346499
2-[2-(2,6-dimethylphenoxy)-1-phenyl-3-(piperazine-1-carbonyl)pyrrolo[3,2-b]pyridin-6-yl]oxyacetic acid;dihydrochloride
CID 66922159
[2-(5-fluoro-2-methylphenyl)sulfanyl-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone
CID 143839408
[2-(2,6-dimethylphenoxy)-6-hydroxy-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;dihydrochloride
CID 66922295
2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridine
CID 91252318
[6-chloro-2-(5-fluoro-2-methylphenoxy)-3-[(3S)-3-methylpiperazine-1-carbonyl]-1-phenylindol-5-yl] 2,2,2-trifluoroacetate
CID 66920494
2-(5-fluoro-2-methylphenoxy)-6-methylsulfonyl-1-phenylindole-3-carboxylic acid
CID 66920479

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone;dihydrochloride?
The IUPAC name of [2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone;dihydrochloride (CID 66922340) is [2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone;dihydrochloride.
What is the SMILES notation for [2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone;dihydrochloride?
The canonical SMILES for [2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone;dihydrochloride is Cc1cnc2c(C(=O)N3CCNCC3)c(Oc3cc(F)ccc3C)n(-c3ccccc3)c2c1.Cl.Cl.
What is the InChIKey of [2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone;dihydrochloride?
The InChIKey is GOCSDKXNHZFGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2.2ClH/c1-17-14-21-24(29-16-17)23(25(32)30-12-10-28-11-13-30)26(31(21)20-6-4-3-5-7-20)33-22-15-19(27)9-8-18(22)2;;/h3-9,14-16,28H,10-13H2,1-2H3;2*1H.
What are the key properties of [2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone;dihydrochloride?
[2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone;dihydrochloride has a molecular weight of 517.43 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone;dihydrochloride is sourced from PubChem (CID 66922340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).