ethyl 5-[[5-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate

C24H19ClFN5O3 — CID 118456303

IUPACethyl 5-[[5-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2cc(-c3cccc(N)n3)c(F)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C24H19ClFN5O3/c1-2-34-24(33)20-13-22(31(30-20)14-7-4-3-5-8-14)29-23(32)15-11-16(18(26)12-17(15)25)19-9-6-10-21(27)28-19/h3-13H,2H2,1H3,(H2,27,28)(H,29,32)
InChIKeyZQUKXXPONBZCJZ-UHFFFAOYSA-N
MW479.90 g/mol
LogP4.74
Rot. Bonds6

About ethyl 5-[[5-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate

ethyl 5-[[5-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate (PubChem CID 118456303) has the molecular formula C24H19ClFN5O3 and a molecular weight of 479.90 g/mol. Its IUPAC name is ethyl 5-[[5-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[5-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate
PubChem CID118456303
Molecular FormulaC24H19ClFN5O3
Molecular Weight479.90 g/mol
Exact Mass479.12
IUPAC Nameethyl 5-[[5-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2cc(-c3cccc(N)n3)c(F)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C24H19ClFN5O3/c1-2-34-24(33)20-13-22(31(30-20)14-7-4-3-5-8-14)29-23(32)15-11-16(18(26)12-17(15)25)19-9-6-10-21(27)28-19/h3-13H,2H2,1H3,(H2,27,28)(H,29,32)
InChIKeyZQUKXXPONBZCJZ-UHFFFAOYSA-N
XLogP4.74
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.90
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[[5-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxylate
CID 118497085
ethyl 5-[[2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxylate
CID 118497025
ethyl 5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate
CID 118456247
ethyl 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylate
CID 23630616
5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118456253
5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]-1-phenylpyrazole-3-carboxamide
CID 130200355
N-[(2S)-1-aminopropan-2-yl]-5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
CID 126963152
ethyl 5-[[2-chloro-5-[3-chloro-6-(methoxymethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxylate
CID 118497080
2-[[5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carbonyl]amino]ethyl dihydrogen phosphate
CID 118497020
2-chloro-N-[3-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-phenylpyrazol-5-yl]-4-fluoro-5-pyridin-2-ylbenzamide
CID 126962830
5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-hydroxy-3-methoxypropyl)-1-phenylpyrazole-3-carboxamide
CID 123815557
N-[2-[acetyl(methyl)amino]ethyl]-5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
CID 126962840

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[5-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-[[5-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate (CID 118456303) is ethyl 5-[[5-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[[5-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-[[5-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate is CCOC(=O)c1cc(NC(=O)c2cc(-c3cccc(N)n3)c(F)cc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of ethyl 5-[[5-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate?
The InChIKey is ZQUKXXPONBZCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN5O3/c1-2-34-24(33)20-13-22(31(30-20)14-7-4-3-5-8-14)29-23(32)15-11-16(18(26)12-17(15)25)19-9-6-10-21(27)28-19/h3-13H,2H2,1H3,(H2,27,28)(H,29,32).
What are the key properties of ethyl 5-[[5-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate?
ethyl 5-[[5-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate has a molecular weight of 479.90 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[5-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 118456303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).