N-[(2R)-2-bicyclo[2.2.2]octanyl]-6-methyl-1H-indazole-3-carboxamide

C17H21N3O — CID 129127830

IUPACN-[(2R)-2-bicyclo[2.2.2]octanyl]-6-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2c(C(=O)N[C@@H]3CC4CCC3CC4)n[nH]c2c1
InChIInChI=1S/C17H21N3O/c1-10-2-7-13-15(8-10)19-20-16(13)17(21)18-14-9-11-3-5-12(14)6-4-11/h2,7-8,11-12,14H,3-6,9H2,1H3,(H,18,21)(H,19,20)/t11?,12?,14-/m1/s1
InChIKeyJKAOGZDGEJZJHM-ORHYLEIMSA-N
MW283.37 g/mol
LogP3.18
Rot. Bonds2

About N-[(2R)-2-bicyclo[2.2.2]octanyl]-6-methyl-1H-indazole-3-carboxamide

N-[(2R)-2-bicyclo[2.2.2]octanyl]-6-methyl-1H-indazole-3-carboxamide (PubChem CID 129127830) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(2R)-2-bicyclo[2.2.2]octanyl]-6-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-bicyclo[2.2.2]octanyl]-6-methyl-1H-indazole-3-carboxamide
PubChem CID129127830
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC NameN-[(2R)-2-bicyclo[2.2.2]octanyl]-6-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2c(C(=O)N[C@@H]3CC4CCC3CC4)n[nH]c2c1
InChIInChI=1S/C17H21N3O/c1-10-2-7-13-15(8-10)19-20-16(13)17(21)18-14-9-11-3-5-12(14)6-4-11/h2,7-8,11-12,14H,3-6,9H2,1H3,(H,18,21)(H,19,20)/t11?,12?,14-/m1/s1
InChIKeyJKAOGZDGEJZJHM-ORHYLEIMSA-N
XLogP3.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2R)-2-bicyclo[2.2.2]octanyl]-6-methyl-1H-indazole-3-carboxamide with MolForge

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Related Compounds

6-methyl-N-[4-(3-methylcyclopentyl)butan-2-yl]-1H-indazole-3-carboxamide
CID 129128045
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethynyl-1H-indazole-3-carboxamide
CID 73069346
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1H-indazole-3-carboxamide;hydrochloride
CID 67229737
N-(cyclopropylmethyl)-5-methyl-1H-indazole-3-carboxamide
CID 78869607
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(2-bromoethyl)-1H-indazole-3-carboxamide
CID 68600959
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-phenyl-1H-indazole-3-carboxamide
CID 10363115
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-cyclohexyl-1H-indazole-3-carboxamide
CID 67231262
N-(2-propylcyclopropyl)-1H-indazole-3-carboxamide
CID 113246079
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(1-bromocyclopropyl)-1H-indazole-3-carboxamide
CID 69111946
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-(difluoromethoxy)-1H-indazole-3-carboxamide
CID 11631406
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-morpholin-4-yl-1H-indazole-3-carboxamide
CID 58578011
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide
CID 78868865

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-bicyclo[2.2.2]octanyl]-6-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[(2R)-2-bicyclo[2.2.2]octanyl]-6-methyl-1H-indazole-3-carboxamide (CID 129127830) is N-[(2R)-2-bicyclo[2.2.2]octanyl]-6-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-bicyclo[2.2.2]octanyl]-6-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(2R)-2-bicyclo[2.2.2]octanyl]-6-methyl-1H-indazole-3-carboxamide is Cc1ccc2c(C(=O)N[C@@H]3CC4CCC3CC4)n[nH]c2c1.
What is the InChIKey of N-[(2R)-2-bicyclo[2.2.2]octanyl]-6-methyl-1H-indazole-3-carboxamide?
The InChIKey is JKAOGZDGEJZJHM-ORHYLEIMSA-N. The full InChI is InChI=1S/C17H21N3O/c1-10-2-7-13-15(8-10)19-20-16(13)17(21)18-14-9-11-3-5-12(14)6-4-11/h2,7-8,11-12,14H,3-6,9H2,1H3,(H,18,21)(H,19,20)/t11?,12?,14-/m1/s1.
What are the key properties of N-[(2R)-2-bicyclo[2.2.2]octanyl]-6-methyl-1H-indazole-3-carboxamide?
N-[(2R)-2-bicyclo[2.2.2]octanyl]-6-methyl-1H-indazole-3-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-bicyclo[2.2.2]octanyl]-6-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 129127830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).