ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate

C23H22N6O3 — CID 46094163

IUPACethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(NC(=O)c3cc(C)nn3C)c2)n(-c2ccccn2)n1
InChIInChI=1S/C23H22N6O3/c1-4-32-23(31)18-14-19(29(27-18)21-10-5-6-11-24-21)16-8-7-9-17(13-16)25-22(30)20-12-15(2)26-28(20)3/h5-14H,4H2,1-3H3,(H,25,30)
InChIKeyRWCMONDFTFSUQJ-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.41
Rot. Bonds6

About ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate

ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate (PubChem CID 46094163) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate
PubChem CID46094163
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Nameethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(NC(=O)c3cc(C)nn3C)c2)n(-c2ccccn2)n1
InChIInChI=1S/C23H22N6O3/c1-4-32-23(31)18-14-19(29(27-18)21-10-5-6-11-24-21)16-8-7-9-17(13-16)25-22(30)20-12-15(2)26-28(20)3/h5-14H,4H2,1-3H3,(H,25,30)
InChIKeyRWCMONDFTFSUQJ-UHFFFAOYSA-N
XLogP3.41
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 67774601
Ethyl 4-[3-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-5-pyridin-4-yltriazol-4-yl]benzoate
CID 134131920
isopropyl 1-methyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1H-pyrazole-4-carboxylate
CID 57377632
ethyl 1-methyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1H-pyrazole-4-carboxylate
CID 57377633
methyl 1-methyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1H-pyrazole-4-carboxylate
CID 57378953
methyl 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylate
CID 86279298
Methyl 3-[[3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzoyl]amino]benzoate
CID 146293959
4-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165368488
3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165415010
Propan-2-yl 1-methyl-4-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-5-carboxylate
CID 165415034
6-(methoxymethyl)-N-[3-(1-methylpyrazol-3-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 165415220
3-[[2-(3,5-Dimethylpyrazol-1-yl)-5-ethoxycarbonylpyrimidin-4-yl]amino]benzoic acid
CID 662434

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate (CID 46094163) is ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate is CCOC(=O)c1cc(-c2cccc(NC(=O)c3cc(C)nn3C)c2)n(-c2ccccn2)n1.
What is the InChIKey of ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate?
The InChIKey is RWCMONDFTFSUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-4-32-23(31)18-14-19(29(27-18)21-10-5-6-11-24-21)16-8-7-9-17(13-16)25-22(30)20-12-15(2)26-28(20)3/h5-14H,4H2,1-3H3,(H,25,30).
What are the key properties of ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate?
ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate has a molecular weight of 430.47 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate is sourced from PubChem (CID 46094163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).