N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,4-dimethylpyridine-2-carboxamide

C15H12BrFN4O — CID 151096183

IUPACN-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,4-dimethylpyridine-2-carboxamide
SMILESCc1ccnc(C(=O)Nc2c[nH]c3ncc(Br)c(F)c23)c1C
InChIInChI=1S/C15H12BrFN4O/c1-7-3-4-18-13(8(7)2)15(22)21-10-6-20-14-11(10)12(17)9(16)5-19-14/h3-6H,1-2H3,(H,19,20)(H,21,22)
InChIKeyMNDUPKBIWWXTIU-UHFFFAOYSA-N
MW363.19 g/mol
LogP3.73
Rot. Bonds2

About N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,4-dimethylpyridine-2-carboxamide

N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,4-dimethylpyridine-2-carboxamide (PubChem CID 151096183) has the molecular formula C15H12BrFN4O and a molecular weight of 363.19 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,4-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,4-dimethylpyridine-2-carboxamide
PubChem CID151096183
Molecular FormulaC15H12BrFN4O
Molecular Weight363.19 g/mol
Exact Mass362.02
IUPAC NameN-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,4-dimethylpyridine-2-carboxamide
SMILESCc1ccnc(C(=O)Nc2c[nH]c3ncc(Br)c(F)c23)c1C
InChIInChI=1S/C15H12BrFN4O/c1-7-3-4-18-13(8(7)2)15(22)21-10-6-20-14-11(10)12(17)9(16)5-19-14/h3-6H,1-2H3,(H,19,20)(H,21,22)
InChIKeyMNDUPKBIWWXTIU-UHFFFAOYSA-N
XLogP3.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.19
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,4-dimethylpyridine-2-carboxamide with MolForge

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Related Compounds

US20240368153, Example 8-2
CID 165416399
N-ethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137634895
N-ethyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137661938
5-methyl-N-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 71453150
N-[(6-Bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 342996
2-(4-(6-Bromo-2-(4-(dimethylamino)phenyl)-3H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl)-N-(pyridin-3-yl)acetamide
CID 46868503
2-[[6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-methylbenzamide
CID 71277570
4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 70687385
N-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 71456662
5-methyl-N-(6-methyl-2-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 71456663
N-(2-aminophenyl)-4-[[[4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide
CID 71518707
N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
CID 134788065

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,4-dimethylpyridine-2-carboxamide?
The IUPAC name of N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,4-dimethylpyridine-2-carboxamide (CID 151096183) is N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,4-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,4-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,4-dimethylpyridine-2-carboxamide is Cc1ccnc(C(=O)Nc2c[nH]c3ncc(Br)c(F)c23)c1C.
What is the InChIKey of N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,4-dimethylpyridine-2-carboxamide?
The InChIKey is MNDUPKBIWWXTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN4O/c1-7-3-4-18-13(8(7)2)15(22)21-10-6-20-14-11(10)12(17)9(16)5-19-14/h3-6H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,4-dimethylpyridine-2-carboxamide?
N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,4-dimethylpyridine-2-carboxamide has a molecular weight of 363.19 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,4-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 151096183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).