5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(oxetan-3-yl)-1-phenylpyrazole-3-carboxamide

C25H19Cl2N5O3 — CID 126962659

IUPAC5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(oxetan-3-yl)-1-phenylpyrazole-3-carboxamide
SMILESO=C(NC1COC1)c1cc(NC(=O)c2cc(-c3ccccn3)c(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C25H19Cl2N5O3/c26-19-11-20(27)18(10-17(19)21-8-4-5-9-28-21)24(33)30-23-12-22(25(34)29-15-13-35-14-15)31-32(23)16-6-2-1-3-7-16/h1-12,15H,13-14H2,(H,29,34)(H,30,33)
InChIKeyIVYVVPAINZAEEL-UHFFFAOYSA-N
MW508.37 g/mol
LogP4.62
Rot. Bonds6

About 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(oxetan-3-yl)-1-phenylpyrazole-3-carboxamide

5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(oxetan-3-yl)-1-phenylpyrazole-3-carboxamide (PubChem CID 126962659) has the molecular formula C25H19Cl2N5O3 and a molecular weight of 508.37 g/mol. Its IUPAC name is 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(oxetan-3-yl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(oxetan-3-yl)-1-phenylpyrazole-3-carboxamide
PubChem CID126962659
Molecular FormulaC25H19Cl2N5O3
Molecular Weight508.37 g/mol
Exact Mass507.09
IUPAC Name5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(oxetan-3-yl)-1-phenylpyrazole-3-carboxamide
SMILESO=C(NC1COC1)c1cc(NC(=O)c2cc(-c3ccccn3)c(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C25H19Cl2N5O3/c26-19-11-20(27)18(10-17(19)21-8-4-5-9-28-21)24(33)30-23-12-22(25(34)29-15-13-35-14-15)31-32(23)16-6-2-1-3-7-16/h1-12,15H,13-14H2,(H,29,34)(H,30,33)
InChIKeyIVYVVPAINZAEEL-UHFFFAOYSA-N
XLogP4.62
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.37
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(oxetan-3-yl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(oxetan-3-yl)-1-phenylpyrazole-3-carboxamide (CID 126962659) is 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(oxetan-3-yl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(oxetan-3-yl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(oxetan-3-yl)-1-phenylpyrazole-3-carboxamide is O=C(NC1COC1)c1cc(NC(=O)c2cc(-c3ccccn3)c(Cl)cc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(oxetan-3-yl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is IVYVVPAINZAEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N5O3/c26-19-11-20(27)18(10-17(19)21-8-4-5-9-28-21)24(33)30-23-12-22(25(34)29-15-13-35-14-15)31-32(23)16-6-2-1-3-7-16/h1-12,15H,13-14H2,(H,29,34)(H,30,33).
What are the key properties of 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(oxetan-3-yl)-1-phenylpyrazole-3-carboxamide?
5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(oxetan-3-yl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 508.37 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(oxetan-3-yl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 126962659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).