1-(2,2-difluoroethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide

C19H24F2N4O — CID 126842443

IUPAC1-(2,2-difluoroethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)c1nn(CC(F)F)c3ccccc13)C2
InChIInChI=1S/C19H24F2N4O/c1-24-13-5-4-6-14(24)10-12(9-13)22-19(26)18-15-7-2-3-8-16(15)25(23-18)11-17(20)21/h2-3,7-8,12-14,17H,4-6,9-11H2,1H3,(H,22,26)
InChIKeyBBEIRVRYSGBOAM-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.05
Rot. Bonds4

About 1-(2,2-difluoroethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide

1-(2,2-difluoroethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide (PubChem CID 126842443) has the molecular formula C19H24F2N4O and a molecular weight of 362.42 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide
PubChem CID126842443
Molecular FormulaC19H24F2N4O
Molecular Weight362.42 g/mol
Exact Mass362.19
IUPAC Name1-(2,2-difluoroethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)c1nn(CC(F)F)c3ccccc13)C2
InChIInChI=1S/C19H24F2N4O/c1-24-13-5-4-6-14(24)10-12(9-13)22-19(26)18-15-7-2-3-8-16(15)25(23-18)11-17(20)21/h2-3,7-8,12-14,17H,4-6,9-11H2,1H3,(H,22,26)
InChIKeyBBEIRVRYSGBOAM-UHFFFAOYSA-N
XLogP3.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide (CID 126842443) is 1-(2,2-difluoroethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide is CN1C2CCCC1CC(NC(=O)c1nn(CC(F)F)c3ccccc13)C2.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide?
The InChIKey is BBEIRVRYSGBOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O/c1-24-13-5-4-6-14(24)10-12(9-13)22-19(26)18-15-7-2-3-8-16(15)25(23-18)11-17(20)21/h2-3,7-8,12-14,17H,4-6,9-11H2,1H3,(H,22,26).
What are the key properties of 1-(2,2-difluoroethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide?
1-(2,2-difluoroethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide has a molecular weight of 362.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide is sourced from PubChem (CID 126842443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).