5-bromo-N-phenyl-1H-indazole-7-carboxamide;N-phenyl-5-pyridin-3-yl-1H-indazole-7-carboxamide

C33H24BrN7O2 — CID 157394753

IUPAC5-bromo-N-phenyl-1H-indazole-7-carboxamide;N-phenyl-5-pyridin-3-yl-1H-indazole-7-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(-c2cccnc2)cc2cn[nH]c12.O=C(Nc1ccccc1)c1cc(Br)cc2cn[nH]c12
InChIInChI=1S/C19H14N4O.C14H10BrN3O/c24-19(22-16-6-2-1-3-7-16)17-10-14(13-5-4-8-20-11-13)9-15-12-21-23-18(15)17;15-10-6-9-8-16-18-13(9)12(7-10)14(19)17-11-4-2-1-3-5-11/h1-12H,(H,21,23)(H,22,24);1-8H,(H,16,18)(H,17,19)
InChIKeyBMKXOPHXJGIHSV-UHFFFAOYSA-N
MW630.51 g/mol
LogP7.45
Rot. Bonds5

About 5-bromo-N-phenyl-1H-indazole-7-carboxamide;N-phenyl-5-pyridin-3-yl-1H-indazole-7-carboxamide

5-bromo-N-phenyl-1H-indazole-7-carboxamide;N-phenyl-5-pyridin-3-yl-1H-indazole-7-carboxamide (PubChem CID 157394753) has the molecular formula C33H24BrN7O2 and a molecular weight of 630.51 g/mol. Its IUPAC name is 5-bromo-N-phenyl-1H-indazole-7-carboxamide;N-phenyl-5-pyridin-3-yl-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name5-bromo-N-phenyl-1H-indazole-7-carboxamide;N-phenyl-5-pyridin-3-yl-1H-indazole-7-carboxamide
PubChem CID157394753
Molecular FormulaC33H24BrN7O2
Molecular Weight630.51 g/mol
Exact Mass629.12
IUPAC Name5-bromo-N-phenyl-1H-indazole-7-carboxamide;N-phenyl-5-pyridin-3-yl-1H-indazole-7-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(-c2cccnc2)cc2cn[nH]c12.O=C(Nc1ccccc1)c1cc(Br)cc2cn[nH]c12
InChIInChI=1S/C19H14N4O.C14H10BrN3O/c24-19(22-16-6-2-1-3-7-16)17-10-14(13-5-4-8-20-11-13)9-15-12-21-23-18(15)17;15-10-6-9-8-16-18-13(9)12(7-10)14(19)17-11-4-2-1-3-5-11/h1-12H,(H,21,23)(H,22,24);1-8H,(H,16,18)(H,17,19)
InChIKeyBMKXOPHXJGIHSV-UHFFFAOYSA-N
XLogP7.45
TPSA128.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.51
LogP ≤ 57.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-phenyl-1H-indazole-7-carboxamide;N-phenyl-5-pyridin-3-yl-1H-indazole-7-carboxamide?
The IUPAC name of 5-bromo-N-phenyl-1H-indazole-7-carboxamide;N-phenyl-5-pyridin-3-yl-1H-indazole-7-carboxamide (CID 157394753) is 5-bromo-N-phenyl-1H-indazole-7-carboxamide;N-phenyl-5-pyridin-3-yl-1H-indazole-7-carboxamide.
What is the SMILES notation for 5-bromo-N-phenyl-1H-indazole-7-carboxamide;N-phenyl-5-pyridin-3-yl-1H-indazole-7-carboxamide?
The canonical SMILES for 5-bromo-N-phenyl-1H-indazole-7-carboxamide;N-phenyl-5-pyridin-3-yl-1H-indazole-7-carboxamide is O=C(Nc1ccccc1)c1cc(-c2cccnc2)cc2cn[nH]c12.O=C(Nc1ccccc1)c1cc(Br)cc2cn[nH]c12.
What is the InChIKey of 5-bromo-N-phenyl-1H-indazole-7-carboxamide;N-phenyl-5-pyridin-3-yl-1H-indazole-7-carboxamide?
The InChIKey is BMKXOPHXJGIHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O.C14H10BrN3O/c24-19(22-16-6-2-1-3-7-16)17-10-14(13-5-4-8-20-11-13)9-15-12-21-23-18(15)17;15-10-6-9-8-16-18-13(9)12(7-10)14(19)17-11-4-2-1-3-5-11/h1-12H,(H,21,23)(H,22,24);1-8H,(H,16,18)(H,17,19).
What are the key properties of 5-bromo-N-phenyl-1H-indazole-7-carboxamide;N-phenyl-5-pyridin-3-yl-1H-indazole-7-carboxamide?
5-bromo-N-phenyl-1H-indazole-7-carboxamide;N-phenyl-5-pyridin-3-yl-1H-indazole-7-carboxamide has a molecular weight of 630.51 g/mol, XLogP of 7.45, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-phenyl-1H-indazole-7-carboxamide;N-phenyl-5-pyridin-3-yl-1H-indazole-7-carboxamide is sourced from PubChem (CID 157394753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).