5-amino-3-[5-[2-[[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

C23H21ClFN7O3 — CID 163292176

IUPAC5-amino-3-[5-[2-[[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(-c4ccc(F)cc4Cl)no3)cn2)c(C(N)=O)c1N
InChIInChI=1S/C23H21ClFN7O3/c1-11(2)32-22(26)20(23(27)34)21(30-32)16-6-3-12(10-28-16)7-18(33)29-19-9-17(31-35-19)14-5-4-13(25)8-15(14)24/h3-6,8-11H,7,26H2,1-2H3,(H2,27,34)(H,29,33)
InChIKeyQTMPQMBIRLNHDK-UHFFFAOYSA-N
MW497.92 g/mol
LogP3.84
Rot. Bonds7

About 5-amino-3-[5-[2-[[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[5-[2-[[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 163292176) has the molecular formula C23H21ClFN7O3 and a molecular weight of 497.92 g/mol. Its IUPAC name is 5-amino-3-[5-[2-[[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[5-[2-[[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID163292176
Molecular FormulaC23H21ClFN7O3
Molecular Weight497.92 g/mol
Exact Mass497.14
IUPAC Name5-amino-3-[5-[2-[[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(-c4ccc(F)cc4Cl)no3)cn2)c(C(N)=O)c1N
InChIInChI=1S/C23H21ClFN7O3/c1-11(2)32-22(26)20(23(27)34)21(30-32)16-6-3-12(10-28-16)7-18(33)29-19-9-17(31-35-19)14-5-4-13(25)8-15(14)24/h3-6,8-11H,7,26H2,1-2H3,(H2,27,34)(H,29,33)
InChIKeyQTMPQMBIRLNHDK-UHFFFAOYSA-N
XLogP3.84
TPSA154.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.92
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-amino-3-[5-[2-[[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide with MolForge

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Related Compounds

3-(2-chlorophenyl)-5-methyl-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]isoxazole-4-carboxamide
CID 3241026
3-(2-chloro-6-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580286
3-(2-chloro-6-fluorophenyl)-5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580287
3-(2-chloro-5-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580288
3-(2-chloro-4-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580289
WO2022098970, Example 330
CID 163291913
WO2022098970, Example 199
CID 163291931
WO2022098970, Example 306
CID 163291942
WO2022098970, Example 293
CID 163292128
WO2022098970, Example 321
CID 164607713
WO2022098970, Example 324
CID 164607714
5-[[2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide
CID 126962668

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[5-[2-[[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[5-[2-[[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 163292176) is 5-amino-3-[5-[2-[[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[5-[2-[[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[5-[2-[[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(-c4ccc(F)cc4Cl)no3)cn2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-[5-[2-[[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is QTMPQMBIRLNHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN7O3/c1-11(2)32-22(26)20(23(27)34)21(30-32)16-6-3-12(10-28-16)7-18(33)29-19-9-17(31-35-19)14-5-4-13(25)8-15(14)24/h3-6,8-11H,7,26H2,1-2H3,(H2,27,34)(H,29,33).
What are the key properties of 5-amino-3-[5-[2-[[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[5-[2-[[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 497.92 g/mol, XLogP of 3.84, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[5-[2-[[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 163292176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).