N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1H-indazole-3-carboxamide;hydrochloride

C16H21ClN4O2 — CID 67229737

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1H-indazole-3-carboxamide;hydrochloride
SMILESCOc1ccc2c(C(=O)N[C@H]3CN4CCC3CC4)n[nH]c2c1.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-22-11-2-3-12-13(8-11)18-19-15(12)16(21)17-14-9-20-6-4-10(14)5-7-20;/h2-3,8,10,14H,4-7,9H2,1H3,(H,17,21)(H,18,19);1H/t14-;/m0./s1
InChIKeyJWSRKRWYCMADHX-UQKRIMTDSA-N
MW336.82 g/mol
LogP1.82
Rot. Bonds3

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1H-indazole-3-carboxamide;hydrochloride

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1H-indazole-3-carboxamide;hydrochloride (PubChem CID 67229737) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1H-indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1H-indazole-3-carboxamide;hydrochloride
PubChem CID67229737
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1H-indazole-3-carboxamide;hydrochloride
SMILESCOc1ccc2c(C(=O)N[C@H]3CN4CCC3CC4)n[nH]c2c1.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-22-11-2-3-12-13(8-11)18-19-15(12)16(21)17-14-9-20-6-4-10(14)5-7-20;/h2-3,8,10,14H,4-7,9H2,1H3,(H,17,21)(H,18,19);1H/t14-;/m0./s1
InChIKeyJWSRKRWYCMADHX-UQKRIMTDSA-N
XLogP1.82
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1H-indazole-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-(difluoromethoxy)-1H-indazole-3-carboxamide
CID 11631406
N-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide;formic acid
CID 11508770
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-ethynyl-1H-indazole-3-carboxamide
CID 73069346
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazole-3-carboxamide
CID 67230913
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-cyclohexyl-1H-indazole-3-carboxamide
CID 67231262
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide
CID 66636210
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-morpholin-4-yl-1H-indazole-3-carboxamide
CID 58578011
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(1-bromocyclopropyl)-1H-indazole-3-carboxamide
CID 69111946
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1H-indazole-3-carboxamide;hydrobromide
CID 67230292
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-1H-indazole-3-carboxamide
CID 11544830

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1H-indazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1H-indazole-3-carboxamide;hydrochloride (CID 67229737) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1H-indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1H-indazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1H-indazole-3-carboxamide;hydrochloride is COc1ccc2c(C(=O)N[C@H]3CN4CCC3CC4)n[nH]c2c1.Cl.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1H-indazole-3-carboxamide;hydrochloride?
The InChIKey is JWSRKRWYCMADHX-UQKRIMTDSA-N. The full InChI is InChI=1S/C16H20N4O2.ClH/c1-22-11-2-3-12-13(8-11)18-19-15(12)16(21)17-14-9-20-6-4-10(14)5-7-20;/h2-3,8,10,14H,4-7,9H2,1H3,(H,17,21)(H,18,19);1H/t14-;/m0./s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1H-indazole-3-carboxamide;hydrochloride?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1H-indazole-3-carboxamide;hydrochloride has a molecular weight of 336.82 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1H-indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 67229737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).