N-(6-imidazol-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

C16H12N6O — CID 35438277

IUPACN-(6-imidazol-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)nc1)c1n[nH]c2ccccc12
InChIInChI=1S/C16H12N6O/c23-16(15-12-3-1-2-4-13(12)20-21-15)19-11-5-6-14(18-9-11)22-8-7-17-10-22/h1-10H,(H,19,23)(H,20,21)
InChIKeyWMRNXYASXPIIDX-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.40
Rot. Bonds3

About N-(6-imidazol-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

N-(6-imidazol-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 35438277) has the molecular formula C16H12N6O and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(6-imidazol-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-imidazol-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID35438277
Molecular FormulaC16H12N6O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC NameN-(6-imidazol-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)nc1)c1n[nH]c2ccccc12
InChIInChI=1S/C16H12N6O/c23-16(15-12-3-1-2-4-13(12)20-21-15)19-11-5-6-14(18-9-11)22-8-7-17-10-22/h1-10H,(H,19,23)(H,20,21)
InChIKeyWMRNXYASXPIIDX-UHFFFAOYSA-N
XLogP2.40
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 35438277) is N-(6-imidazol-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(6-imidazol-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(6-imidazol-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(-n2ccnc2)nc1)c1n[nH]c2ccccc12.
What is the InChIKey of N-(6-imidazol-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is WMRNXYASXPIIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O/c23-16(15-12-3-1-2-4-13(12)20-21-15)19-11-5-6-14(18-9-11)22-8-7-17-10-22/h1-10H,(H,19,23)(H,20,21).
What are the key properties of N-(6-imidazol-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
N-(6-imidazol-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-imidazol-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 35438277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).