5-amino-3-[5-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide

C22H20Cl2N8O3 — CID 163291861

IUPAC5-amino-3-[5-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2cnc(CC(=O)Nc3cc(-c4ccc(Cl)cc4Cl)no3)cn2)c(C(N)=O)c1N
InChIInChI=1S/C22H20Cl2N8O3/c1-10(2)32-21(25)19(22(26)34)20(30-32)16-9-27-12(8-28-16)6-17(33)29-18-7-15(31-35-18)13-4-3-11(23)5-14(13)24/h3-5,7-10H,6,25H2,1-2H3,(H2,26,34)(H,29,33)
InChIKeySOHKNUJQIJZPRR-UHFFFAOYSA-N
MW515.36 g/mol
LogP3.75
Rot. Bonds7

About 5-amino-3-[5-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[5-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 163291861) has the molecular formula C22H20Cl2N8O3 and a molecular weight of 515.36 g/mol. Its IUPAC name is 5-amino-3-[5-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[5-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID163291861
Molecular FormulaC22H20Cl2N8O3
Molecular Weight515.36 g/mol
Exact Mass514.10
IUPAC Name5-amino-3-[5-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2cnc(CC(=O)Nc3cc(-c4ccc(Cl)cc4Cl)no3)cn2)c(C(N)=O)c1N
InChIInChI=1S/C22H20Cl2N8O3/c1-10(2)32-21(25)19(22(26)34)20(30-32)16-9-27-12(8-28-16)6-17(33)29-18-7-15(31-35-18)13-4-3-11(23)5-14(13)24/h3-5,7-10H,6,25H2,1-2H3,(H2,26,34)(H,29,33)
InChIKeySOHKNUJQIJZPRR-UHFFFAOYSA-N
XLogP3.75
TPSA167.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.36
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[5-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[5-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide (CID 163291861) is 5-amino-3-[5-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[5-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[5-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2cnc(CC(=O)Nc3cc(-c4ccc(Cl)cc4Cl)no3)cn2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-[5-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is SOHKNUJQIJZPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N8O3/c1-10(2)32-21(25)19(22(26)34)20(30-32)16-9-27-12(8-28-16)6-17(33)29-18-7-15(31-35-18)13-4-3-11(23)5-14(13)24/h3-5,7-10H,6,25H2,1-2H3,(H2,26,34)(H,29,33).
What are the key properties of 5-amino-3-[5-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[5-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 515.36 g/mol, XLogP of 3.75, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[5-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 163291861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).