1-methyl-4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride

C18H25ClN4O — CID 175745176

IUPAC1-methyl-4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride
SMILESCN1C2CCCC1CC(c1cccc3c1c(C(N)=O)nn3C)C2.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-21-12-5-3-6-13(21)10-11(9-12)14-7-4-8-15-16(14)17(18(19)23)20-22(15)2;/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3,(H2,19,23);1H
InChIKeyNHDUYQKOQCNAQX-UHFFFAOYSA-N
MW348.88 g/mol
LogP2.82
Rot. Bonds2

About 1-methyl-4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride

1-methyl-4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride (PubChem CID 175745176) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 1-methyl-4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride
PubChem CID175745176
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name1-methyl-4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride
SMILESCN1C2CCCC1CC(c1cccc3c1c(C(N)=O)nn3C)C2.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-21-12-5-3-6-13(21)10-11(9-12)14-7-4-8-15-16(14)17(18(19)23)20-22(15)2;/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3,(H2,19,23);1H
InChIKeyNHDUYQKOQCNAQX-UHFFFAOYSA-N
XLogP2.82
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-yl)-1-prop-2-enylindazole-3-carboxamide
CID 67877251
4-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide
CID 172713911
3-carbamoyl-4-cyclohexylindazole-1-carboxylic acid
CID 156503098
1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CID 6918003
2-hydroxy-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide
CID 143770547
2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 70041976
(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 67274324
(Z)-but-2-enedioic acid;1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 53251841
1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;sulfuric acid
CID 46912690
methanesulfonic acid;1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 71728255
3-cyclobutyl-1-methylindazol-4-ol
CID 136765375
methyl 1-methyl-3-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]indazole-4-carboxylate
CID 66772528

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-methyl-4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride (CID 175745176) is 1-methyl-4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-methyl-4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-methyl-4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride is CN1C2CCCC1CC(c1cccc3c1c(C(N)=O)nn3C)C2.Cl.
What is the InChIKey of 1-methyl-4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride?
The InChIKey is NHDUYQKOQCNAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c1-21-12-5-3-6-13(21)10-11(9-12)14-7-4-8-15-16(14)17(18(19)23)20-22(15)2;/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3,(H2,19,23);1H.
What are the key properties of 1-methyl-4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride?
1-methyl-4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 175745176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).