5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-3-carboxamide

C26H19Cl2N7O2 — CID 118497185

IUPAC5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(NCc1ccn[nH]1)c1cc(NC(=O)c2cc(-c3ccccn3)c(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C26H19Cl2N7O2/c27-20-13-21(28)19(12-18(20)22-8-4-5-10-29-22)25(36)32-24-14-23(26(37)30-15-16-9-11-31-33-16)34-35(24)17-6-2-1-3-7-17/h1-14H,15H2,(H,30,37)(H,31,33)(H,32,36)
InChIKeyPHGOTFJNVQEXME-UHFFFAOYSA-N
MW532.39 g/mol
LogP5.15
Rot. Bonds7

About 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-3-carboxamide

5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-3-carboxamide (PubChem CID 118497185) has the molecular formula C26H19Cl2N7O2 and a molecular weight of 532.39 g/mol. Its IUPAC name is 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-3-carboxamide
PubChem CID118497185
Molecular FormulaC26H19Cl2N7O2
Molecular Weight532.39 g/mol
Exact Mass531.10
IUPAC Name5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(NCc1ccn[nH]1)c1cc(NC(=O)c2cc(-c3ccccn3)c(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C26H19Cl2N7O2/c27-20-13-21(28)19(12-18(20)22-8-4-5-10-29-22)25(36)32-24-14-23(26(37)30-15-16-9-11-31-33-16)34-35(24)17-6-2-1-3-7-17/h1-14H,15H2,(H,30,37)(H,31,33)(H,32,36)
InChIKeyPHGOTFJNVQEXME-UHFFFAOYSA-N
XLogP5.15
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.39
LogP ≤ 55.15
H-Bond Donors ≤ 53
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]-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-3-carboxamide (CID 118497185) is 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-3-carboxamide is O=C(NCc1ccn[nH]1)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]-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is PHGOTFJNVQEXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2N7O2/c27-20-13-21(28)19(12-18(20)22-8-4-5-10-29-22)25(36)32-24-14-23(26(37)30-15-16-9-11-31-33-16)34-35(24)17-6-2-1-3-7-17/h1-14H,15H2,(H,30,37)(H,31,33)(H,32,36).
What are the key properties of 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-3-carboxamide?
5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 532.39 g/mol, XLogP of 5.15, 7 rotatable bonds, 3 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]-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 118497185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).