N-(2-azabicyclo[3.1.0]hexan-4-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide

C14H13F3N4O — CID 167793305

IUPACN-(2-azabicyclo[3.1.0]hexan-4-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide
SMILESO=C(NC1CNC2CC21)c1n[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C14H13F3N4O/c15-14(16,17)6-1-2-9-8(3-6)12(21-20-9)13(22)19-11-5-18-10-4-7(10)11/h1-3,7,10-11,18H,4-5H2,(H,19,22)(H,20,21)
InChIKeyIEVDCJSBMBIASP-UHFFFAOYSA-N
MW310.28 g/mol
LogP1.67
Rot. Bonds2

About N-(2-azabicyclo[3.1.0]hexan-4-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide

N-(2-azabicyclo[3.1.0]hexan-4-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide (PubChem CID 167793305) has the molecular formula C14H13F3N4O and a molecular weight of 310.28 g/mol. Its IUPAC name is N-(2-azabicyclo[3.1.0]hexan-4-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[3.1.0]hexan-4-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide
PubChem CID167793305
Molecular FormulaC14H13F3N4O
Molecular Weight310.28 g/mol
Exact Mass310.10
IUPAC NameN-(2-azabicyclo[3.1.0]hexan-4-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide
SMILESO=C(NC1CNC2CC21)c1n[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C14H13F3N4O/c15-14(16,17)6-1-2-9-8(3-6)12(21-20-9)13(22)19-11-5-18-10-4-7(10)11/h1-3,7,10-11,18H,4-5H2,(H,19,22)(H,20,21)
InChIKeyIEVDCJSBMBIASP-UHFFFAOYSA-N
XLogP1.67
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide
CID 167813104
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
CID 67273538
N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide
CID 167981258
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide
CID 78868865
5-amino-N-(2,4-dimethylcyclohexyl)-1H-indazole-3-carboxamide
CID 63996231
N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide
CID 166337738
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(hydroxyamino)-1H-indazole-3-carboxamide
CID 91108211
5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride
CID 120597988
5-amino-N-(2-methylcyclohexyl)-1H-indazole-3-carboxamide
CID 60906370
5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide
CID 106289149
5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indazole-3-carbohydrazide
CID 78869090
2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
CID 71192936

Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[3.1.0]hexan-4-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(2-azabicyclo[3.1.0]hexan-4-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide (CID 167793305) is N-(2-azabicyclo[3.1.0]hexan-4-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[3.1.0]hexan-4-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2-azabicyclo[3.1.0]hexan-4-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide is O=C(NC1CNC2CC21)c1n[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of N-(2-azabicyclo[3.1.0]hexan-4-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
The InChIKey is IEVDCJSBMBIASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O/c15-14(16,17)6-1-2-9-8(3-6)12(21-20-9)13(22)19-11-5-18-10-4-7(10)11/h1-3,7,10-11,18H,4-5H2,(H,19,22)(H,20,21).
What are the key properties of N-(2-azabicyclo[3.1.0]hexan-4-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
N-(2-azabicyclo[3.1.0]hexan-4-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide has a molecular weight of 310.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[3.1.0]hexan-4-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 167793305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).