4-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide

C18H24N4O — CID 172713911

IUPAC4-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide
SMILESCn1nc(C(N)=O)c2c(C3C4CCN(CC4)C3(C)C)cccc21
InChIInChI=1S/C18H24N4O/c1-18(2)15(11-7-9-22(18)10-8-11)12-5-4-6-13-14(12)16(17(19)23)20-21(13)3/h4-6,11,15H,7-10H2,1-3H3,(H2,19,23)
InChIKeyFPKVOCVGDTZYGW-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.26
Rot. Bonds2

About 4-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide

4-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide (PubChem CID 172713911) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide.

Molecular Properties

Compound Name4-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide
PubChem CID172713911
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name4-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide
SMILESCn1nc(C(N)=O)c2c(C3C4CCN(CC4)C3(C)C)cccc21
InChIInChI=1S/C18H24N4O/c1-18(2)15(11-7-9-22(18)10-8-11)12-5-4-6-13-14(12)16(17(19)23)20-21(13)3/h4-6,11,15H,7-10H2,1-3H3,(H2,19,23)
InChIKeyFPKVOCVGDTZYGW-UHFFFAOYSA-N
XLogP2.26
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride
CID 175745176
N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide
CID 121413863
3-carbamoyl-4-cyclohexylindazole-1-carboxylic acid
CID 156503098
4-(1-azabicyclo[2.2.2]octan-3-yl)-1-thiophen-3-ylindazole-3-carboxamide
CID 90031046
cyclobutyl-(1-methylindazol-3-yl)methanone
CID 103125487
4-(3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-yl)-1-prop-2-enylindazole-3-carboxamide
CID 67877251
3-N-cyclopropyl-1-methylindazole-3,4-diamine
CID 84670864
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116391
2-(4-cyclopropyl-1-methylindazol-3-yl)-1-(6,8-dimethyl-2-azatricyclo[4.3.1.13,8]undecan-2-yl)-2-methylpropan-1-one
CID 123455698
3-cyclobutyl-1-methylindazol-4-ol
CID 136765375
(4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone
CID 103124705

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide?
The IUPAC name of 4-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide (CID 172713911) is 4-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide.
What is the SMILES notation for 4-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide?
The canonical SMILES for 4-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide is Cn1nc(C(N)=O)c2c(C3C4CCN(CC4)C3(C)C)cccc21.
What is the InChIKey of 4-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide?
The InChIKey is FPKVOCVGDTZYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-18(2)15(11-7-9-22(18)10-8-11)12-5-4-6-13-14(12)16(17(19)23)20-21(13)3/h4-6,11,15H,7-10H2,1-3H3,(H2,19,23).
What are the key properties of 4-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide?
4-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide is sourced from PubChem (CID 172713911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).