1-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-3-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one

C18H18BrClN4O2 — CID 176510945

IUPAC1-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-3-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one
SMILESCO[C@H](C)c1c(CC(=O)Cc2cc(Cl)c3ncnn3c2)cnc(C)c1Br
InChIInChI=1S/C18H18BrClN4O2/c1-10-17(19)16(11(2)26-3)13(7-21-10)6-14(25)4-12-5-15(20)18-22-9-23-24(18)8-12/h5,7-9,11H,4,6H2,1-3H3/t11-/m1/s1
InChIKeyJJPWUGMTWIAGOU-LLVKDONJSA-N
MW437.73 g/mol
LogP3.91
Rot. Bonds6

About 1-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-3-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one

1-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-3-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one (PubChem CID 176510945) has the molecular formula C18H18BrClN4O2 and a molecular weight of 437.73 g/mol. Its IUPAC name is 1-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-3-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one.

Molecular Properties

Compound Name1-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-3-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one
PubChem CID176510945
Molecular FormulaC18H18BrClN4O2
Molecular Weight437.73 g/mol
Exact Mass436.03
IUPAC Name1-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-3-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one
SMILESCO[C@H](C)c1c(CC(=O)Cc2cc(Cl)c3ncnn3c2)cnc(C)c1Br
InChIInChI=1S/C18H18BrClN4O2/c1-10-17(19)16(11(2)26-3)13(7-21-10)6-14(25)4-12-5-15(20)18-22-9-23-24(18)8-12/h5,7-9,11H,4,6H2,1-3H3/t11-/m1/s1
InChIKeyJJPWUGMTWIAGOU-LLVKDONJSA-N
XLogP3.91
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.73
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-3-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one 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

1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[5-isocyano-4-(1-methoxyethyl)-3-pyridinyl]propan-2-one
CID 164994358
4-(1-methoxyethyl)-2-methyl-5-[2-oxo-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propyl]pyridine-3-carbonitrile
CID 164947102
2-[5-bromo-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid
CID 130069504
1-[3-fluoro-4-(triazol-2-yl)phenyl]-3-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one
CID 147044639
6-[3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-oxopropyl]-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-2-carbonitrile
CID 176510960
2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazine-7-carboxylic acid
CID 175449316
1-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[4-(triazol-2-yl)-3-(trifluoromethyl)phenyl]propan-2-one
CID 147913204
1-[5-bromo-4-(1-cyclopropyloxyethyl)-6-methyl-3-pyridinyl]-3-(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 168993825
1-[5-methoxy-4-[(1S)-1-methoxyethyl]-3-pyridinyl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-[5-methoxy-4-[(1R)-1-methoxyethyl]-3-pyridinyl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 165002297
8-ethyl-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 174345641
1-[5-chloro-6-[4-(methoxymethyl)triazol-2-yl]-3-pyridinyl]-3-[8-(1-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-7-yl]urea
CID 166769846
6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 66636284

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-3-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one?
The IUPAC name of 1-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-3-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one (CID 176510945) is 1-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-3-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one.
What is the SMILES notation for 1-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-3-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one?
The canonical SMILES for 1-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-3-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one is CO[C@H](C)c1c(CC(=O)Cc2cc(Cl)c3ncnn3c2)cnc(C)c1Br.
What is the InChIKey of 1-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-3-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one?
The InChIKey is JJPWUGMTWIAGOU-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18BrClN4O2/c1-10-17(19)16(11(2)26-3)13(7-21-10)6-14(25)4-12-5-15(20)18-22-9-23-24(18)8-12/h5,7-9,11H,4,6H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-3-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one?
1-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-3-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one has a molecular weight of 437.73 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-3-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one is sourced from PubChem (CID 176510945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).