2-(4-chlorophenoxy)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C20H18ClN3O2 — CID 84579185

IUPAC2-(4-chlorophenoxy)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CC=C(c2c[nH]c3cccnc23)CC1
InChIInChI=1S/C20H18ClN3O2/c21-15-3-5-16(6-4-15)26-13-19(25)24-10-7-14(8-11-24)17-12-23-18-2-1-9-22-20(17)18/h1-7,9,12,23H,8,10-11,13H2
InChIKeyGBGFMIVKYBAIDG-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.91
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

2-(4-chlorophenoxy)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 84579185) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID84579185
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name2-(4-chlorophenoxy)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CC=C(c2c[nH]c3cccnc23)CC1
InChIInChI=1S/C20H18ClN3O2/c21-15-3-5-16(6-4-15)26-13-19(25)24-10-7-14(8-11-24)17-12-23-18-2-1-9-22-20(17)18/h1-7,9,12,23H,8,10-11,13H2
InChIKeyGBGFMIVKYBAIDG-UHFFFAOYSA-N
XLogP3.91
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 84581753
2-(4-chlorophenyl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 110477025
3-(4-chlorophenyl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 84582641
1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenoxyethanone
CID 84559832
4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 143765594
3-(4-methoxyphenyl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 112535077
3-piperidin-1-yl-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 112534996
3-pyridin-2-yl-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 112535103
(3,4-dichlorophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 84580641
(2-bromophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 110477024
1-[4-(5-bromo-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenoxyethanone
CID 84559821
(2-methoxy-5-methylphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112535065

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 84579185) is 2-(4-chlorophenoxy)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is O=C(COc1ccc(Cl)cc1)N1CC=C(c2c[nH]c3cccnc23)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is GBGFMIVKYBAIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-15-3-5-16(6-4-15)26-13-19(25)24-10-7-14(8-11-24)17-12-23-18-2-1-9-22-20(17)18/h1-7,9,12,23H,8,10-11,13H2.
What are the key properties of 2-(4-chlorophenoxy)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 367.84 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 84579185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).