formic acid;5-methoxy-N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide

C19H26N4O4 — CID 11603204

IUPACformic acid;5-methoxy-N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)N(C)C3CC4CCC(C3)N4C)c2c1.O=CO
InChIInChI=1S/C18H24N4O2.CH2O2/c1-21-11-4-5-12(21)9-13(8-11)22(2)18(23)17-15-10-14(24-3)6-7-16(15)19-20-17;2-1-3/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,19,20);1H,(H,2,3)
InChIKeyHPOMFUFZYIGVFA-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.97
Rot. Bonds3

About formic acid;5-methoxy-N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide

formic acid;5-methoxy-N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide (PubChem CID 11603204) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is formic acid;5-methoxy-N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Nameformic acid;5-methoxy-N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
PubChem CID11603204
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Nameformic acid;5-methoxy-N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)N(C)C3CC4CCC(C3)N4C)c2c1.O=CO
InChIInChI=1S/C18H24N4O2.CH2O2/c1-21-11-4-5-12(21)9-13(8-11)22(2)18(23)17-15-10-14(24-3)6-7-16(15)19-20-17;2-1-3/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,19,20);1H,(H,2,3)
InChIKeyHPOMFUFZYIGVFA-UHFFFAOYSA-N
XLogP1.97
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;5-methoxy-N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide?
The IUPAC name of formic acid;5-methoxy-N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide (CID 11603204) is formic acid;5-methoxy-N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for formic acid;5-methoxy-N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for formic acid;5-methoxy-N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide is COc1ccc2[nH]nc(C(=O)N(C)C3CC4CCC(C3)N4C)c2c1.O=CO.
What is the InChIKey of formic acid;5-methoxy-N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide?
The InChIKey is HPOMFUFZYIGVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.CH2O2/c1-21-11-4-5-12(21)9-13(8-11)22(2)18(23)17-15-10-14(24-3)6-7-16(15)19-20-17;2-1-3/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,19,20);1H,(H,2,3).
What are the key properties of formic acid;5-methoxy-N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide?
formic acid;5-methoxy-N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;5-methoxy-N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 11603204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).