(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

C27H42N6O — CID 67274324

IUPAC(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
SMILESCN1[C@@H]2CCC[C@H]1CC(N)C2.CN1[C@@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3ccccc13)C2
InChIInChI=1S/C18H24N4O.C9H18N2/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;1-11-8-3-2-4-9(11)6-7(10)5-8/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23);7-9H,2-6,10H2,1H3/t12?,13-,14+;7?,8-,9+
InChIKeyXNLDQWZELSMPKF-XHDYKVOPSA-N
MW466.67 g/mol
LogP3.28
Rot. Bonds2

About (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

(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 (PubChem CID 67274324) has the molecular formula C27H42N6O and a molecular weight of 466.67 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID67274324
Molecular FormulaC27H42N6O
Molecular Weight466.67 g/mol
Exact Mass466.34
IUPAC Name(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
SMILESCN1[C@@H]2CCC[C@H]1CC(N)C2.CN1[C@@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3ccccc13)C2
InChIInChI=1S/C18H24N4O.C9H18N2/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;1-11-8-3-2-4-9(11)6-7(10)5-8/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23);7-9H,2-6,10H2,1H3/t12?,13-,14+;7?,8-,9+
InChIKeyXNLDQWZELSMPKF-XHDYKVOPSA-N
XLogP3.28
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.67
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

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
(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
2-[(1R,5S)-3-[(1-methylindazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]acetic acid
CID 101096898
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
N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide
CID 103120569
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-(4-oxocyclohexyl)indazole-3-carboxamide
CID 103118179
1-methyl-N-(9-methyl-1-azatricyclo[4.3.0.02,9]nonan-4-yl)indazole-3-carboxamide
CID 163714881
1-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]indazole-3-carboxamide
CID 155618833
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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN1[C@@H]2CCC[C@H]1CC(N)C2.CN1[C@@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3ccccc13)C2.
What is the InChIKey of (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?
The InChIKey is XNLDQWZELSMPKF-XHDYKVOPSA-N. The full InChI is InChI=1S/C18H24N4O.C9H18N2/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;1-11-8-3-2-4-9(11)6-7(10)5-8/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23);7-9H,2-6,10H2,1H3/t12?,13-,14+;7?,8-,9+.
What are the key properties of (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?
(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 has a molecular weight of 466.67 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 67274324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).