N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-propan-2-ylindazole-3-carboxamide

C19H26N4O2 — CID 21478704

IUPACN-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NC2CC3COCC(C2)N3C)c2ccccc21
InChIInChI=1S/C19H26N4O2/c1-12(2)23-17-7-5-4-6-16(17)18(21-23)19(24)20-13-8-14-10-25-11-15(9-13)22(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24)
InChIKeyICEHGRJWIYBORL-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.21
Rot. Bonds3

About N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-propan-2-ylindazole-3-carboxamide

N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-propan-2-ylindazole-3-carboxamide (PubChem CID 21478704) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-propan-2-ylindazole-3-carboxamide
PubChem CID21478704
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NC2CC3COCC(C2)N3C)c2ccccc21
InChIInChI=1S/C19H26N4O2/c1-12(2)23-17-7-5-4-6-16(17)18(21-23)19(24)20-13-8-14-10-25-11-15(9-13)22(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24)
InChIKeyICEHGRJWIYBORL-UHFFFAOYSA-N
XLogP2.21
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-propan-2-ylindazole-3-carboxamide (CID 21478704) is N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-propan-2-ylindazole-3-carboxamide is CC(C)n1nc(C(=O)NC2CC3COCC(C2)N3C)c2ccccc21.
What is the InChIKey of N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is ICEHGRJWIYBORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12(2)23-17-7-5-4-6-16(17)18(21-23)19(24)20-13-8-14-10-25-11-15(9-13)22(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24).
What are the key properties of N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-propan-2-ylindazole-3-carboxamide?
N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 21478704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).