methyl 1-methyl-3-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]indazole-4-carboxylate

C20H28N4O2 — CID 66772528

IUPACmethyl 1-methyl-3-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]indazole-4-carboxylate
SMILESCOC(=O)c1cccc2c1c(CNC1CC3CCCC(C1)N3C)nn2C
InChIInChI=1S/C20H28N4O2/c1-23-14-6-4-7-15(23)11-13(10-14)21-12-17-19-16(20(25)26-3)8-5-9-18(19)24(2)22-17/h5,8-9,13-15,21H,4,6-7,10-12H2,1-3H3
InChIKeyWFRPYLNGXGVTOG-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.46
Rot. Bonds4

About methyl 1-methyl-3-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]indazole-4-carboxylate

methyl 1-methyl-3-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]indazole-4-carboxylate (PubChem CID 66772528) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is methyl 1-methyl-3-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]indazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]indazole-4-carboxylate
PubChem CID66772528
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Namemethyl 1-methyl-3-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]indazole-4-carboxylate
SMILESCOC(=O)c1cccc2c1c(CNC1CC3CCCC(C1)N3C)nn2C
InChIInChI=1S/C20H28N4O2/c1-23-14-6-4-7-15(23)11-13(10-14)21-12-17-19-16(20(25)26-3)8-5-9-18(19)24(2)22-17/h5,8-9,13-15,21H,4,6-7,10-12H2,1-3H3
InChIKeyWFRPYLNGXGVTOG-UHFFFAOYSA-N
XLogP2.46
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-methyl-3-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]indazole-4-carboxylate with MolForge

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Related Compounds

methyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate
CID 65471978
1-methyl-3-[2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]ethyl]indole-4-carboxylic acid
CID 66772104
1-methyl-5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]pyrazole-4-carboxylic acid
CID 116631301
1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CID 6918003
1-methyl-4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride
CID 175745176
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
methyl 2-[[(3-ethylcyclohexyl)amino]methyl]benzoate
CID 64741423
methyl 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoate
CID 104644641
9-methyl-N-[(5-methylfuran-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471793
(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
methyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate
CID 103083146

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-3-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]indazole-4-carboxylate?
The IUPAC name of methyl 1-methyl-3-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]indazole-4-carboxylate (CID 66772528) is methyl 1-methyl-3-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]indazole-4-carboxylate.
What is the SMILES notation for methyl 1-methyl-3-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]indazole-4-carboxylate?
The canonical SMILES for methyl 1-methyl-3-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]indazole-4-carboxylate is COC(=O)c1cccc2c1c(CNC1CC3CCCC(C1)N3C)nn2C.
What is the InChIKey of methyl 1-methyl-3-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]indazole-4-carboxylate?
The InChIKey is WFRPYLNGXGVTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-23-14-6-4-7-15(23)11-13(10-14)21-12-17-19-16(20(25)26-3)8-5-9-18(19)24(2)22-17/h5,8-9,13-15,21H,4,6-7,10-12H2,1-3H3.
What are the key properties of methyl 1-methyl-3-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]indazole-4-carboxylate?
methyl 1-methyl-3-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]indazole-4-carboxylate has a molecular weight of 356.47 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]indazole-4-carboxylate is sourced from PubChem (CID 66772528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).