methoxy-[6-[(5-methyl-1H-indazole-3-carbonyl)amino]-3-pyridinyl]-oxoazanium

C15H14N5O3+ — CID 142999120

IUPACmethoxy-[6-[(5-methyl-1H-indazole-3-carbonyl)amino]-3-pyridinyl]-oxoazanium
SMILESCO[N+](=O)c1ccc(NC(=O)c2n[nH]c3ccc(C)cc23)nc1
InChIInChI=1S/C15H13N5O3/c1-9-3-5-12-11(7-9)14(19-18-12)15(21)17-13-6-4-10(8-16-13)20(22)23-2/h3-8H,1-2H3,(H-,16,17,18,19,21,22)/p+1
InChIKeyIBQVXEDFQBUYME-UHFFFAOYSA-O
MW312.31 g/mol
LogP2.49
Rot. Bonds4

About methoxy-[6-[(5-methyl-1H-indazole-3-carbonyl)amino]-3-pyridinyl]-oxoazanium

methoxy-[6-[(5-methyl-1H-indazole-3-carbonyl)amino]-3-pyridinyl]-oxoazanium (PubChem CID 142999120) has the molecular formula C15H14N5O3+ and a molecular weight of 312.31 g/mol. Its IUPAC name is methoxy-[6-[(5-methyl-1H-indazole-3-carbonyl)amino]-3-pyridinyl]-oxoazanium.

Molecular Properties

Compound Namemethoxy-[6-[(5-methyl-1H-indazole-3-carbonyl)amino]-3-pyridinyl]-oxoazanium
PubChem CID142999120
Molecular FormulaC15H14N5O3+
Molecular Weight312.31 g/mol
Exact Mass312.11
IUPAC Namemethoxy-[6-[(5-methyl-1H-indazole-3-carbonyl)amino]-3-pyridinyl]-oxoazanium
SMILESCO[N+](=O)c1ccc(NC(=O)c2n[nH]c3ccc(C)cc23)nc1
InChIInChI=1S/C15H13N5O3/c1-9-3-5-12-11(7-9)14(19-18-12)15(21)17-13-6-4-10(8-16-13)20(22)23-2/h3-8H,1-2H3,(H-,16,17,18,19,21,22)/p+1
InChIKeyIBQVXEDFQBUYME-UHFFFAOYSA-O
XLogP2.49
TPSA99.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy-[6-[(5-methyl-1H-indazole-3-carbonyl)amino]-3-pyridinyl]-oxoazanium?
The IUPAC name of methoxy-[6-[(5-methyl-1H-indazole-3-carbonyl)amino]-3-pyridinyl]-oxoazanium (CID 142999120) is methoxy-[6-[(5-methyl-1H-indazole-3-carbonyl)amino]-3-pyridinyl]-oxoazanium.
What is the SMILES notation for methoxy-[6-[(5-methyl-1H-indazole-3-carbonyl)amino]-3-pyridinyl]-oxoazanium?
The canonical SMILES for methoxy-[6-[(5-methyl-1H-indazole-3-carbonyl)amino]-3-pyridinyl]-oxoazanium is CO[N+](=O)c1ccc(NC(=O)c2n[nH]c3ccc(C)cc23)nc1.
What is the InChIKey of methoxy-[6-[(5-methyl-1H-indazole-3-carbonyl)amino]-3-pyridinyl]-oxoazanium?
The InChIKey is IBQVXEDFQBUYME-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H13N5O3/c1-9-3-5-12-11(7-9)14(19-18-12)15(21)17-13-6-4-10(8-16-13)20(22)23-2/h3-8H,1-2H3,(H-,16,17,18,19,21,22)/p+1.
What are the key properties of methoxy-[6-[(5-methyl-1H-indazole-3-carbonyl)amino]-3-pyridinyl]-oxoazanium?
methoxy-[6-[(5-methyl-1H-indazole-3-carbonyl)amino]-3-pyridinyl]-oxoazanium has a molecular weight of 312.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[6-[(5-methyl-1H-indazole-3-carbonyl)amino]-3-pyridinyl]-oxoazanium is sourced from PubChem (CID 142999120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).