2-(6-phenylpyridazin-3-yl)indazole-7-carboxamide

C18H13N5O — CID 57425164

IUPAC2-(6-phenylpyridazin-3-yl)indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(-c4ccccc4)nn3)nc12
InChIInChI=1S/C18H13N5O/c19-18(24)14-8-4-7-13-11-23(22-17(13)14)16-10-9-15(20-21-16)12-5-2-1-3-6-12/h1-11H,(H2,19,24)
InChIKeyJWHOQWSMNZWAMU-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.58
Rot. Bonds3

About 2-(6-phenylpyridazin-3-yl)indazole-7-carboxamide

2-(6-phenylpyridazin-3-yl)indazole-7-carboxamide (PubChem CID 57425164) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-(6-phenylpyridazin-3-yl)indazole-7-carboxamide.

Molecular Properties

Compound Name2-(6-phenylpyridazin-3-yl)indazole-7-carboxamide
PubChem CID57425164
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC Name2-(6-phenylpyridazin-3-yl)indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(-c4ccccc4)nn3)nc12
InChIInChI=1S/C18H13N5O/c19-18(24)14-8-4-7-13-11-23(22-17(13)14)16-10-9-15(20-21-16)12-5-2-1-3-6-12/h1-11H,(H2,19,24)
InChIKeyJWHOQWSMNZWAMU-UHFFFAOYSA-N
XLogP2.58
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylpyridazin-3-yl)indazole-7-carboxamide?
The IUPAC name of 2-(6-phenylpyridazin-3-yl)indazole-7-carboxamide (CID 57425164) is 2-(6-phenylpyridazin-3-yl)indazole-7-carboxamide.
What is the SMILES notation for 2-(6-phenylpyridazin-3-yl)indazole-7-carboxamide?
The canonical SMILES for 2-(6-phenylpyridazin-3-yl)indazole-7-carboxamide is NC(=O)c1cccc2cn(-c3ccc(-c4ccccc4)nn3)nc12.
What is the InChIKey of 2-(6-phenylpyridazin-3-yl)indazole-7-carboxamide?
The InChIKey is JWHOQWSMNZWAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c19-18(24)14-8-4-7-13-11-23(22-17(13)14)16-10-9-15(20-21-16)12-5-2-1-3-6-12/h1-11H,(H2,19,24).
What are the key properties of 2-(6-phenylpyridazin-3-yl)indazole-7-carboxamide?
2-(6-phenylpyridazin-3-yl)indazole-7-carboxamide has a molecular weight of 315.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenylpyridazin-3-yl)indazole-7-carboxamide is sourced from PubChem (CID 57425164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).