(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;ethane

C17H17BrN2O2 — CID 142527703

IUPAC(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;ethane
SMILESCC.COc1cccc(C(=O)c2c[nH]c3ncc(Br)cc23)c1
InChIInChI=1S/C15H11BrN2O2.C2H6/c1-20-11-4-2-3-9(5-11)14(19)13-8-18-15-12(13)6-10(16)7-17-15;1-2/h2-8H,1H3,(H,17,18);1-2H3
InChIKeyXHLZNODACKCUEB-UHFFFAOYSA-N
MW361.24 g/mol
LogP4.59
Rot. Bonds3

About (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;ethane

(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;ethane (PubChem CID 142527703) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;ethane.

Molecular Properties

Compound Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;ethane
PubChem CID142527703
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;ethane
SMILESCC.COc1cccc(C(=O)c2c[nH]c3ncc(Br)cc23)c1
InChIInChI=1S/C15H11BrN2O2.C2H6/c1-20-11-4-2-3-9(5-11)14(19)13-8-18-15-12(13)6-10(16)7-17-15;1-2/h2-8H,1H3,(H,17,18);1-2H3
InChIKeyXHLZNODACKCUEB-UHFFFAOYSA-N
XLogP4.59
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-(2-methoxyphenyl)-1H-pyrrolo(2,3-b)pyridin-5-yl)-N,N-dimethylpyridine-3-carboxamide
CID 16750094
3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 23625310
(6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxy-phenyl)-methanone
CID 52951492
(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-(3,4,5-trimethoxy-phenyl)-methanone
CID 52951494
N-[2-[[3-(3-methoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]prop-2-enamide
CID 146271378
(E)-(4-(3,5-Difluorophenyl)-3H-pyrrolo(2,3-b)pyridin-3-ylidene)(3-methoxyphenyl)methanol
CID 11674979
N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 57402971
2-cyclopentyl-4-[5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 145962321
4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 145963516
[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-phenylmethanone
CID 155536780
N-[2-[[3-(3,5-dimethoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]cyclohexyl]prop-2-enamide
CID 162668565
methyl 3-[3-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate
CID 166632247

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;ethane?
The IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;ethane (CID 142527703) is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;ethane.
What is the SMILES notation for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;ethane?
The canonical SMILES for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;ethane is CC.COc1cccc(C(=O)c2c[nH]c3ncc(Br)cc23)c1.
What is the InChIKey of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;ethane?
The InChIKey is XHLZNODACKCUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2.C2H6/c1-20-11-4-2-3-9(5-11)14(19)13-8-18-15-12(13)6-10(16)7-17-15;1-2/h2-8H,1H3,(H,17,18);1-2H3.
What are the key properties of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;ethane?
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;ethane has a molecular weight of 361.24 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;ethane is sourced from PubChem (CID 142527703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).