5-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide

C18H24N4O2 — CID 11509046

IUPAC5-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)NC3CC4CCCC(C3)N4C)c2c1
InChIInChI=1S/C18H24N4O2/c1-22-12-4-3-5-13(22)9-11(8-12)19-18(23)17-15-10-14(24-2)6-7-16(15)20-21-17/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyPOOLYNSYJUVOML-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.32
Rot. Bonds3

About 5-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide

5-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide (PubChem CID 11509046) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide
PubChem CID11509046
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)NC3CC4CCCC(C3)N4C)c2c1
InChIInChI=1S/C18H24N4O2/c1-22-12-4-3-5-13(22)9-11(8-12)19-18(23)17-15-10-14(24-2)6-7-16(15)20-21-17/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyPOOLYNSYJUVOML-UHFFFAOYSA-N
XLogP2.32
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide (CID 11509046) is 5-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide is COc1ccc2[nH]nc(C(=O)NC3CC4CCCC(C3)N4C)c2c1.
What is the InChIKey of 5-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide?
The InChIKey is POOLYNSYJUVOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-22-12-4-3-5-13(22)9-11(8-12)19-18(23)17-15-10-14(24-2)6-7-16(15)20-21-17/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of 5-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide?
5-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 11509046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).