4,5,6,7-tetradeuterio-N-[(1R,5R)-2,2,3,4,4-pentadeuterio-9-(trideuteriomethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide

C18H24N4O — CID 46215468

IUPAC4,5,6,7-tetradeuterio-N-[(1R,5R)-2,2,3,4,4-pentadeuterio-9-(trideuteriomethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide
SMILES[2H]c1c([2H])c([2H])c2c(c(C(=O)NC3([2H])C([2H])([2H])[C@H]4CCC[C@@H](N4C([2H])([2H])[2H])C3([2H])[2H])nn2C([2H])([2H])[2H])c1[2H]
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)/t13-,14-/m1/s1/i1D3,2D3,3D,4D,8D,9D,10D2,11D2,12D
InChIKeyMFWNKCLOYSRHCJ-FCDWRYCFSA-N
MW327.51 g/mol
LogP2.32
Rot. Bonds4

About 4,5,6,7-tetradeuterio-N-[(1R,5R)-2,2,3,4,4-pentadeuterio-9-(trideuteriomethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide

4,5,6,7-tetradeuterio-N-[(1R,5R)-2,2,3,4,4-pentadeuterio-9-(trideuteriomethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide (PubChem CID 46215468) has the molecular formula C18H24N4O and a molecular weight of 327.51 g/mol. Its IUPAC name is 4,5,6,7-tetradeuterio-N-[(1R,5R)-2,2,3,4,4-pentadeuterio-9-(trideuteriomethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide.

Molecular Properties

Compound Name4,5,6,7-tetradeuterio-N-[(1R,5R)-2,2,3,4,4-pentadeuterio-9-(trideuteriomethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide
PubChem CID46215468
Molecular FormulaC18H24N4O
Molecular Weight327.51 g/mol
Exact Mass327.29
IUPAC Name4,5,6,7-tetradeuterio-N-[(1R,5R)-2,2,3,4,4-pentadeuterio-9-(trideuteriomethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide
SMILES[2H]c1c([2H])c([2H])c2c(c(C(=O)NC3([2H])C([2H])([2H])[C@H]4CCC[C@@H](N4C([2H])([2H])[2H])C3([2H])[2H])nn2C([2H])([2H])[2H])c1[2H]
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)/t13-,14-/m1/s1/i1D3,2D3,3D,4D,8D,9D,10D2,11D2,12D
InChIKeyMFWNKCLOYSRHCJ-FCDWRYCFSA-N
XLogP2.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,5,6,7-tetradeuterio-N-[(1R,5R)-2,2,3,4,4-pentadeuterio-9-(trideuteriomethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide with MolForge

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Related Compounds

4,5,6,7-tetradeuterio-1-methyl-N-[(1R,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 46214796
4,5,6,7-tetradeuterio-N-[(1R,5R)-1,2,2,4,4,5,6,6,7,7,8,8-dodecadeuterio-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-methylindazole-3-carboxamide
CID 46214946
7-hydroxy-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuterio(113C)methyl)indazole-3-carboxamide
CID 76973834
1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CID 6918003
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
(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
N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylindazole-3-carboxamide
CID 103120378
N-(2-hydroxycyclohexyl)-1-methylindazole-3-carboxamide
CID 103120150
cyclobutyl-(1-methylindazol-3-yl)methanone
CID 103125487
1-(trihydroxymethyl)-N-[9-(trihydroxymethyl)-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 91292940

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetradeuterio-N-[(1R,5R)-2,2,3,4,4-pentadeuterio-9-(trideuteriomethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide?
The IUPAC name of 4,5,6,7-tetradeuterio-N-[(1R,5R)-2,2,3,4,4-pentadeuterio-9-(trideuteriomethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide (CID 46215468) is 4,5,6,7-tetradeuterio-N-[(1R,5R)-2,2,3,4,4-pentadeuterio-9-(trideuteriomethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide.
What is the SMILES notation for 4,5,6,7-tetradeuterio-N-[(1R,5R)-2,2,3,4,4-pentadeuterio-9-(trideuteriomethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide?
The canonical SMILES for 4,5,6,7-tetradeuterio-N-[(1R,5R)-2,2,3,4,4-pentadeuterio-9-(trideuteriomethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide is [2H]c1c([2H])c([2H])c2c(c(C(=O)NC3([2H])C([2H])([2H])[C@H]4CCC[C@@H](N4C([2H])([2H])[2H])C3([2H])[2H])nn2C([2H])([2H])[2H])c1[2H].
What is the InChIKey of 4,5,6,7-tetradeuterio-N-[(1R,5R)-2,2,3,4,4-pentadeuterio-9-(trideuteriomethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide?
The InChIKey is MFWNKCLOYSRHCJ-FCDWRYCFSA-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)/t13-,14-/m1/s1/i1D3,2D3,3D,4D,8D,9D,10D2,11D2,12D.
What are the key properties of 4,5,6,7-tetradeuterio-N-[(1R,5R)-2,2,3,4,4-pentadeuterio-9-(trideuteriomethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide?
4,5,6,7-tetradeuterio-N-[(1R,5R)-2,2,3,4,4-pentadeuterio-9-(trideuteriomethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide has a molecular weight of 327.51 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetradeuterio-N-[(1R,5R)-2,2,3,4,4-pentadeuterio-9-(trideuteriomethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide is sourced from PubChem (CID 46215468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).