N-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide;formic acid

C18H24N4O4 — CID 11508770

IUPACN-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide;formic acid
SMILESCOc1ccc2c(C(=O)NCC3CN4CCC3CC4)n[nH]c2c1.O=CO
InChIInChI=1S/C17H22N4O2.CH2O2/c1-23-13-2-3-14-15(8-13)19-20-16(14)17(22)18-9-12-10-21-6-4-11(12)5-7-21;2-1-3/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,18,22)(H,19,20);1H,(H,2,3)
InChIKeyQOROCNNFQURAJN-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.34
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide;formic acid

N-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide;formic acid (PubChem CID 11508770) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide;formic acid.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide;formic acid
PubChem CID11508770
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide;formic acid
SMILESCOc1ccc2c(C(=O)NCC3CN4CCC3CC4)n[nH]c2c1.O=CO
InChIInChI=1S/C17H22N4O2.CH2O2/c1-23-13-2-3-14-15(8-13)19-20-16(14)17(22)18-9-12-10-21-6-4-11(12)5-7-21;2-1-3/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,18,22)(H,19,20);1H,(H,2,3)
InChIKeyQOROCNNFQURAJN-UHFFFAOYSA-N
XLogP1.34
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1H-indazole-3-carboxamide;hydrochloride
CID 67229737
1-azabicyclo[2.2.2]octan-3-yl 5-methoxy-1H-indazole-3-carboxylate;formic acid
CID 11695936
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-(6-cyclohexyl-1H-indazol-3-yl)ethanone;formic acid
CID 160778490
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-(difluoromethoxy)-1H-indazole-3-carboxamide
CID 11631406
6-methoxy-N-propyl-1H-indazole-3-carboxamide
CID 110469559
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-(6-phenyl-1H-indazol-3-yl)ethanone;formic acid
CID 123277563
2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-(6-phenyl-1H-indazol-3-yl)ethanone;formic acid
CID 123390295
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-(6-fluoro-1H-indazol-3-yl)ethanone
CID 58578032
N-(2-hydroxypropyl)-6-methoxy-1H-indazole-3-carboxamide
CID 110469569
6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide
CID 67273565
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazole-3-carboxamide
CID 67230913
2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-(6-thiophen-2-yl-1H-indazol-3-yl)ethanone;formic acid
CID 123838269

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide;formic acid?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide;formic acid (CID 11508770) is N-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide;formic acid.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide;formic acid?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide;formic acid is COc1ccc2c(C(=O)NCC3CN4CCC3CC4)n[nH]c2c1.O=CO.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide;formic acid?
The InChIKey is QOROCNNFQURAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.CH2O2/c1-23-13-2-3-14-15(8-13)19-20-16(14)17(22)18-9-12-10-21-6-4-11(12)5-7-21;2-1-3/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,18,22)(H,19,20);1H,(H,2,3).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide;formic acid?
N-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide;formic acid has a molecular weight of 360.41 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide;formic acid is sourced from PubChem (CID 11508770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).