1-(2,2-difluoroethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide

C18H22F2N4O — CID 118442345

IUPAC1-(2,2-difluoroethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1nn(CC(F)F)c3ccccc13)C2
InChIInChI=1S/C18H22F2N4O/c1-23-12-6-7-13(23)9-11(8-12)21-18(25)17-14-4-2-3-5-15(14)24(22-17)10-16(19)20/h2-5,11-13,16H,6-10H2,1H3,(H,21,25)
InChIKeyOAXUKCFWEMTNMZ-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.66
Rot. Bonds4

About 1-(2,2-difluoroethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide

1-(2,2-difluoroethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide (PubChem CID 118442345) has the molecular formula C18H22F2N4O and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide
PubChem CID118442345
Molecular FormulaC18H22F2N4O
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name1-(2,2-difluoroethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1nn(CC(F)F)c3ccccc13)C2
InChIInChI=1S/C18H22F2N4O/c1-23-12-6-7-13(23)9-11(8-12)21-18(25)17-14-4-2-3-5-15(14)24(22-17)10-16(19)20/h2-5,11-13,16H,6-10H2,1H3,(H,21,25)
InChIKeyOAXUKCFWEMTNMZ-UHFFFAOYSA-N
XLogP2.66
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-difluoroethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide with MolForge

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Adb-butinaca
CID 155907792
(3H)granisetron
CID 3510
5F-Cumyl-PINACA
CID 86274158
AB-Chminaca
CID 44206133
Granisetron (JAN/USAN/INN)
CID 5284566
Amb-fubinaca
CID 119026173
AB-Pinaca
CID 71301472
5-Fluoro-apinaca
CID 71711119
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
5-Fluoro-AB-pinaca, (A+-)-
CID 102144602
1-(4-cyanobutyl)-N-(2-phenylpropan-2-yl)-1H-indazole-3-carboxamide
CID 117650402

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide (CID 118442345) is 1-(2,2-difluoroethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide is CN1C2CCC1CC(NC(=O)c1nn(CC(F)F)c3ccccc13)C2.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide?
The InChIKey is OAXUKCFWEMTNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O/c1-23-12-6-7-13(23)9-11(8-12)21-18(25)17-14-4-2-3-5-15(14)24(22-17)10-16(19)20/h2-5,11-13,16H,6-10H2,1H3,(H,21,25).
What are the key properties of 1-(2,2-difluoroethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide?
1-(2,2-difluoroethyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 2.66, 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-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide is sourced from PubChem (CID 118442345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).