N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)indazole-3-carboxamide

C20H20F3N5OS — CID 67234114

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)indazole-3-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1nn(CC(F)(F)F)c2ccc(-c3nccs3)cc12
InChIInChI=1S/C20H20F3N5OS/c21-20(22,23)11-28-16-2-1-13(19-24-5-8-30-19)9-14(16)17(26-28)18(29)25-15-10-27-6-3-12(15)4-7-27/h1-2,5,8-9,12,15H,3-4,6-7,10-11H2,(H,25,29)
InChIKeyNAMLGDGETMHPCG-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.55
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)indazole-3-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)indazole-3-carboxamide (PubChem CID 67234114) has the molecular formula C20H20F3N5OS and a molecular weight of 435.48 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)indazole-3-carboxamide
PubChem CID67234114
Molecular FormulaC20H20F3N5OS
Molecular Weight435.48 g/mol
Exact Mass435.13
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)indazole-3-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1nn(CC(F)(F)F)c2ccc(-c3nccs3)cc12
InChIInChI=1S/C20H20F3N5OS/c21-20(22,23)11-28-16-2-1-13(19-24-5-8-30-19)9-14(16)17(26-28)18(29)25-15-10-27-6-3-12(15)4-7-27/h1-2,5,8-9,12,15H,3-4,6-7,10-11H2,(H,25,29)
InChIKeyNAMLGDGETMHPCG-UHFFFAOYSA-N
XLogP3.55
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-Phenylindazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66839945
[1-(3,4-Difluorophenyl)indazol-5-yl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 71232002
[1-(4-Fluorophenyl)indazol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 71232091
2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide
CID 138671433
2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide
CID 138671435
N-[4-[2-[2-(3,3-difluorobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 138671442
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 138671466
N-[4-[2-[2-(3,3-difluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 138671504
2-methyl-N-[4-[2-[2-(trifluoromethoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide
CID 138671652
5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
CID 139431487
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-5-fluoro-2-methylindazole-4-carboxamide
CID 155347280
N-[4-[2-[2-(3-fluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 155347294

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)indazole-3-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)indazole-3-carboxamide (CID 67234114) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)indazole-3-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)indazole-3-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)indazole-3-carboxamide is O=C(NC1CN2CCC1CC2)c1nn(CC(F)(F)F)c2ccc(-c3nccs3)cc12.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)indazole-3-carboxamide?
The InChIKey is NAMLGDGETMHPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5OS/c21-20(22,23)11-28-16-2-1-13(19-24-5-8-30-19)9-14(16)17(26-28)18(29)25-15-10-27-6-3-12(15)4-7-27/h1-2,5,8-9,12,15H,3-4,6-7,10-11H2,(H,25,29).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)indazole-3-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)indazole-3-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)indazole-3-carboxamide is sourced from PubChem (CID 67234114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).