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

C19H20BrClN6O2 — CID 168993825

IUPAC1-[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
SMILESCc1nc2c(Cl)cc(NC(=O)Nc3cnc(C)c(Br)c3C(C)OC3CC3)cn2n1
InChIInChI=1S/C19H20BrClN6O2/c1-9-17(20)16(10(2)29-13-4-5-13)15(7-22-9)25-19(28)24-12-6-14(21)18-23-11(3)26-27(18)8-12/h6-8,10,13H,4-5H2,1-3H3,(H2,24,25,28)
InChIKeyFDYDQNPPWKSLJR-UHFFFAOYSA-N
MW479.77 g/mol
LogP5.04
Rot. Bonds5

About 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

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 (PubChem CID 168993825) has the molecular formula C19H20BrClN6O2 and a molecular weight of 479.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID168993825
Molecular FormulaC19H20BrClN6O2
Molecular Weight479.77 g/mol
Exact Mass478.05
IUPAC Name1-[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
SMILESCc1nc2c(Cl)cc(NC(=O)Nc3cnc(C)c(Br)c3C(C)OC3CC3)cn2n1
InChIInChI=1S/C19H20BrClN6O2/c1-9-17(20)16(10(2)29-13-4-5-13)15(7-22-9)25-19(28)24-12-6-14(21)18-23-11(3)26-27(18)8-12/h6-8,10,13H,4-5H2,1-3H3,(H2,24,25,28)
InChIKeyFDYDQNPPWKSLJR-UHFFFAOYSA-N
XLogP5.04
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.77
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 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-(8-bromo-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]urea
CID 168993749
1-[5-bromo-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea
CID 155202073
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[5-methoxy-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]urea
CID 155202059
1-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-3-(2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)urea
CID 156772689
1-[2-chloro-7-[(1S)-1-[(3S)-oxolan-3-yl]oxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 118540121
1-[7-[(1S)-1-(1-acetylpyrrolidin-3-yl)oxyethyl]-2-chloropyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 129117086
1-[5-bromo-4-(methoxymethyl)-6-methyl-3-pyridinyl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 155708225
4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid
CID 172581585
1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea
CID 156772560
1-[5-chloro-6-(1,2-oxazol-4-yl)-3-pyridinyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134211660
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
1-(3-chloro-4-imidazol-1-ylphenyl)-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134208946

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2c(Cl)cc(NC(=O)Nc3cnc(C)c(Br)c3C(C)OC3CC3)cn2n1.
What is the InChIKey of 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?
The InChIKey is FDYDQNPPWKSLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN6O2/c1-9-17(20)16(10(2)29-13-4-5-13)15(7-22-9)25-19(28)24-12-6-14(21)18-23-11(3)26-27(18)8-12/h6-8,10,13H,4-5H2,1-3H3,(H2,24,25,28).
What are the key properties of 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?
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 has a molecular weight of 479.77 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168993825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).