methyl 4-[(3-bromopyrazolo[1,5-a]pyridine-6-carbonyl)amino]-1-methylpyrazole-3-carboxylate

C14H12BrN5O3 — CID 166349827

IUPACmethyl 4-[(3-bromopyrazolo[1,5-a]pyridine-6-carbonyl)amino]-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)cc1NC(=O)c1ccc2c(Br)cnn2c1
InChIInChI=1S/C14H12BrN5O3/c1-19-7-10(12(18-19)14(22)23-2)17-13(21)8-3-4-11-9(15)5-16-20(11)6-8/h3-7H,1-2H3,(H,17,21)
InChIKeyLYQBIIOYOKGVKB-UHFFFAOYSA-N
MW378.19 g/mol
LogP1.87
Rot. Bonds3

About methyl 4-[(3-bromopyrazolo[1,5-a]pyridine-6-carbonyl)amino]-1-methylpyrazole-3-carboxylate

methyl 4-[(3-bromopyrazolo[1,5-a]pyridine-6-carbonyl)amino]-1-methylpyrazole-3-carboxylate (PubChem CID 166349827) has the molecular formula C14H12BrN5O3 and a molecular weight of 378.19 g/mol. Its IUPAC name is methyl 4-[(3-bromopyrazolo[1,5-a]pyridine-6-carbonyl)amino]-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-bromopyrazolo[1,5-a]pyridine-6-carbonyl)amino]-1-methylpyrazole-3-carboxylate
PubChem CID166349827
Molecular FormulaC14H12BrN5O3
Molecular Weight378.19 g/mol
Exact Mass377.01
IUPAC Namemethyl 4-[(3-bromopyrazolo[1,5-a]pyridine-6-carbonyl)amino]-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)cc1NC(=O)c1ccc2c(Br)cnn2c1
InChIInChI=1S/C14H12BrN5O3/c1-19-7-10(12(18-19)14(22)23-2)17-13(21)8-3-4-11-9(15)5-16-20(11)6-8/h3-7H,1-2H3,(H,17,21)
InChIKeyLYQBIIOYOKGVKB-UHFFFAOYSA-N
XLogP1.87
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.19
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[(2,6-dimethoxybenzoyl)amino]-1-methylpyrazole-3-carboxylate
CID 19341646
methyl 4-[(4,5-dibromothiophene-2-carbonyl)amino]-1-methylpyrazole-3-carboxylate
CID 19341532
methyl 4-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxylate
CID 19341620
methyl 4-[(4-chloro-3-nitrobenzoyl)amino]-1-methylpyrazole-3-carboxylate
CID 19341726
3-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide
CID 166349881
3-bromo-N-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide
CID 166349878
methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate
CID 19346192
methyl 1-methyl-4-[(2-nitrobenzoyl)amino]pyrazole-3-carboxylate
CID 19341428
methyl 3-methylpyrazolo[1,5-a]pyridine-6-carboxylate
CID 166128420
methyl 4-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate
CID 70099200
4-[(4-ethylbenzoyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410625
methyl 4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
CID 4863063

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-bromopyrazolo[1,5-a]pyridine-6-carbonyl)amino]-1-methylpyrazole-3-carboxylate?
The IUPAC name of methyl 4-[(3-bromopyrazolo[1,5-a]pyridine-6-carbonyl)amino]-1-methylpyrazole-3-carboxylate (CID 166349827) is methyl 4-[(3-bromopyrazolo[1,5-a]pyridine-6-carbonyl)amino]-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-[(3-bromopyrazolo[1,5-a]pyridine-6-carbonyl)amino]-1-methylpyrazole-3-carboxylate?
The canonical SMILES for methyl 4-[(3-bromopyrazolo[1,5-a]pyridine-6-carbonyl)amino]-1-methylpyrazole-3-carboxylate is COC(=O)c1nn(C)cc1NC(=O)c1ccc2c(Br)cnn2c1.
What is the InChIKey of methyl 4-[(3-bromopyrazolo[1,5-a]pyridine-6-carbonyl)amino]-1-methylpyrazole-3-carboxylate?
The InChIKey is LYQBIIOYOKGVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O3/c1-19-7-10(12(18-19)14(22)23-2)17-13(21)8-3-4-11-9(15)5-16-20(11)6-8/h3-7H,1-2H3,(H,17,21).
What are the key properties of methyl 4-[(3-bromopyrazolo[1,5-a]pyridine-6-carbonyl)amino]-1-methylpyrazole-3-carboxylate?
methyl 4-[(3-bromopyrazolo[1,5-a]pyridine-6-carbonyl)amino]-1-methylpyrazole-3-carboxylate has a molecular weight of 378.19 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-bromopyrazolo[1,5-a]pyridine-6-carbonyl)amino]-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 166349827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).