N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide

C18H24N4O — CID 86287410

IUPACN-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide
SMILES[2H]C([2H])([2H])n1nc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)c2ccccc21
InChIInChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12?,13-,14+/i2D3
InChIKeyMFWNKCLOYSRHCJ-GHZBYRHTSA-N
MW315.44 g/mol
LogP2.32
Rot. Bonds3

About N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide

N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide (PubChem CID 86287410) has the molecular formula C18H24N4O and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide
PubChem CID86287410
Molecular FormulaC18H24N4O
Molecular Weight315.44 g/mol
Exact Mass315.21
IUPAC NameN-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide
SMILES[2H]C([2H])([2H])n1nc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)c2ccccc21
InChIInChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12?,13-,14+/i2D3
InChIKeyMFWNKCLOYSRHCJ-GHZBYRHTSA-N
XLogP2.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Apinaca
CID 57404063
Adb-butinaca
CID 155907792
(3H)granisetron
CID 3510
5F-Cumyl-PINACA
CID 86274158
AB-Chminaca
CID 44206133
Granisetron (JAN/USAN/INN)
CID 5284566
Amb-fubinaca
CID 119026173
AB-Pinaca
CID 71301472
Facinicline
CID 9970357
5-Fluoro-apinaca
CID 71711119
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide?
The IUPAC name of N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide (CID 86287410) is N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide.
What is the SMILES notation for N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide?
The canonical SMILES for N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide is [2H]C([2H])([2H])n1nc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)c2ccccc21.
What is the InChIKey of N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide?
The InChIKey is MFWNKCLOYSRHCJ-GHZBYRHTSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12?,13-,14+/i2D3.
What are the key properties of N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide?
N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide is sourced from PubChem (CID 86287410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).