N-pyridazin-4-yl-5-pyridin-3-yl-1H-indazole-3-carboxamide

C17H12N6O — CID 89444818

IUPACN-pyridazin-4-yl-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccnnc1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C17H12N6O/c24-17(21-13-5-7-19-20-10-13)16-14-8-11(3-4-15(14)22-23-16)12-2-1-6-18-9-12/h1-10H,(H,22,23)(H,19,21,24)
InChIKeyDWPMHGTVEACENT-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.67
Rot. Bonds3

About N-pyridazin-4-yl-5-pyridin-3-yl-1H-indazole-3-carboxamide

N-pyridazin-4-yl-5-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 89444818) has the molecular formula C17H12N6O and a molecular weight of 316.32 g/mol. Its IUPAC name is N-pyridazin-4-yl-5-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-pyridazin-4-yl-5-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID89444818
Molecular FormulaC17H12N6O
Molecular Weight316.32 g/mol
Exact Mass316.11
IUPAC NameN-pyridazin-4-yl-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccnnc1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C17H12N6O/c24-17(21-13-5-7-19-20-10-13)16-14-8-11(3-4-15(14)22-23-16)12-2-1-6-18-9-12/h1-10H,(H,22,23)(H,19,21,24)
InChIKeyDWPMHGTVEACENT-UHFFFAOYSA-N
XLogP2.67
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyridazin-4-yl-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-pyridazin-4-yl-5-pyridin-3-yl-1H-indazole-3-carboxamide (CID 89444818) is N-pyridazin-4-yl-5-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-pyridazin-4-yl-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-pyridazin-4-yl-5-pyridin-3-yl-1H-indazole-3-carboxamide is O=C(Nc1ccnnc1)c1n[nH]c2ccc(-c3cccnc3)cc12.
What is the InChIKey of N-pyridazin-4-yl-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is DWPMHGTVEACENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O/c24-17(21-13-5-7-19-20-10-13)16-14-8-11(3-4-15(14)22-23-16)12-2-1-6-18-9-12/h1-10H,(H,22,23)(H,19,21,24).
What are the key properties of N-pyridazin-4-yl-5-pyridin-3-yl-1H-indazole-3-carboxamide?
N-pyridazin-4-yl-5-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-4-yl-5-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 89444818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).