N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide

C23H23F3N4O — CID 67273538

IUPACN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1n[nH]c3ccc(-c4ccc(C(F)(F)F)cc4)cc13)C2
InChIInChI=1S/C23H23F3N4O/c1-30-17-7-8-18(30)12-16(11-17)27-22(31)21-19-10-14(4-9-20(19)28-29-21)13-2-5-15(6-3-13)23(24,25)26/h2-6,9-10,16-18H,7-8,11-12H2,1H3,(H,27,31)(H,28,29)
InChIKeyJFDOMAHCTDSZIV-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.60
Rot. Bonds3

About N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 67273538) has the molecular formula C23H23F3N4O and a molecular weight of 428.46 g/mol. Its IUPAC name is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
PubChem CID67273538
Molecular FormulaC23H23F3N4O
Molecular Weight428.46 g/mol
Exact Mass428.18
IUPAC NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1n[nH]c3ccc(-c4ccc(C(F)(F)F)cc4)cc13)C2
InChIInChI=1S/C23H23F3N4O/c1-30-17-7-8-18(30)12-16(11-17)27-22(31)21-19-10-14(4-9-20(19)28-29-21)13-2-5-15(6-3-13)23(24,25)26/h2-6,9-10,16-18H,7-8,11-12H2,1H3,(H,27,31)(H,28,29)
InChIKeyJFDOMAHCTDSZIV-UHFFFAOYSA-N
XLogP4.60
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide with MolForge

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Related Compounds

5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
CID 11659418
formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
CID 11611337
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide
CID 11610286
5-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide
CID 11509046
6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide
CID 67273565
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-6-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide
CID 67273746
N-(1-methylpiperidin-4-yl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indazole-3-carboxamide
CID 139431459
N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 160652856
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide
CID 78868865
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide
CID 167813104
5-(5-amino-3-pyridinyl)-N-(1-tert-butylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382151
N-(2-azabicyclo[3.1.0]hexan-4-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide
CID 167793305

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide (CID 67273538) is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide is CN1C2CCC1CC(NC(=O)c1n[nH]c3ccc(-c4ccc(C(F)(F)F)cc4)cc13)C2.
What is the InChIKey of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is JFDOMAHCTDSZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O/c1-30-17-7-8-18(30)12-16(11-17)27-22(31)21-19-10-14(4-9-20(19)28-29-21)13-2-5-15(6-3-13)23(24,25)26/h2-6,9-10,16-18H,7-8,11-12H2,1H3,(H,27,31)(H,28,29).
What are the key properties of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide?
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 428.46 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 67273538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).