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

C18H24N4O — CID 46214946

IUPAC4,5,6,7-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
SMILES[2H]c1c([2H])c([2H])c2c(c(C(=O)NC3C([2H])([2H])[C@]4([2H])N(C)[C@@]([2H])(C3([2H])[2H])C([2H])([2H])C([2H])([2H])C4([2H])[2H])nn2C)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/i3D,4D,5D2,6D2,7D2,8D,9D,10D2,11D2,13D,14D
InChIKeyMFWNKCLOYSRHCJ-DYNHDWDESA-N
MW328.51 g/mol
LogP2.32
Rot. Bonds2

About 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

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 (PubChem CID 46214946) has the molecular formula C18H24N4O and a molecular weight of 328.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,5,6,7-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
PubChem CID46214946
Molecular FormulaC18H24N4O
Molecular Weight328.51 g/mol
Exact Mass328.30
IUPAC Name4,5,6,7-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
SMILES[2H]c1c([2H])c([2H])c2c(c(C(=O)NC3C([2H])([2H])[C@]4([2H])N(C)[C@@]([2H])(C3([2H])[2H])C([2H])([2H])C([2H])([2H])C4([2H])[2H])nn2C)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/i3D,4D,5D2,6D2,7D2,8D,9D,10D2,11D2,13D,14D
InChIKeyMFWNKCLOYSRHCJ-DYNHDWDESA-N
XLogP2.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.51
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 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)-2,2,3,4,4-pentadeuterio-9-(trideuteriomethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1-(trideuteriomethyl)indazole-3-carboxamide
CID 46215468
1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide
CID 103118179
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
1-methyl-N-(4-methylpyrrolidin-3-yl)indazole-3-carboxamide
CID 103117381
N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide
CID 103120569
(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-(9-methyl-1-azatricyclo[4.3.0.02,9]nonan-4-yl)indazole-3-carboxamide
CID 163714881
2-[(1R,5S)-3-[(1-methylindazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]acetic acid
CID 101096898

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c2c(c(C(=O)NC3C([2H])([2H])[C@]4([2H])N(C)[C@@]([2H])(C3([2H])[2H])C([2H])([2H])C([2H])([2H])C4([2H])[2H])nn2C)c1[2H].
What is the InChIKey of 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?
The InChIKey is MFWNKCLOYSRHCJ-DYNHDWDESA-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/i3D,4D,5D2,6D2,7D2,8D,9D,10D2,11D2,13D,14D.
What are the key properties of 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?
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 has a molecular weight of 328.51 g/mol, XLogP of 2.32, 2 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)-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 is sourced from PubChem (CID 46214946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).