carbamoyl 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxylate

C17H20N4O3 — CID 141138966

IUPACcarbamoyl 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxylate
SMILESCN1C2CCC1CC(n1nc(C(=O)OC(N)=O)c3ccccc31)C2
InChIInChI=1S/C17H20N4O3/c1-20-10-6-7-11(20)9-12(8-10)21-14-5-3-2-4-13(14)15(19-21)16(22)24-17(18)23/h2-5,10-12H,6-9H2,1H3,(H2,18,23)
InChIKeyRLXHZNRWCBAFCM-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.07
Rot. Bonds2

About carbamoyl 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxylate

carbamoyl 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxylate (PubChem CID 141138966) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is carbamoyl 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxylate.

Molecular Properties

Compound Namecarbamoyl 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxylate
PubChem CID141138966
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Namecarbamoyl 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxylate
SMILESCN1C2CCC1CC(n1nc(C(=O)OC(N)=O)c3ccccc31)C2
InChIInChI=1S/C17H20N4O3/c1-20-10-6-7-11(20)9-12(8-10)21-14-5-3-2-4-13(14)15(19-21)16(22)24-17(18)23/h2-5,10-12H,6-9H2,1H3,(H2,18,23)
InChIKeyRLXHZNRWCBAFCM-UHFFFAOYSA-N
XLogP2.07
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 1-(2-fluoroethyl)indazole-3-carboxylate
CID 118436647
carbamoyl 1-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-hydroxyindazole-3-carboxylate
CID 141133093
1-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indole-3-carboxylic acid
CID 68762000
1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CID 6918003
(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-[(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
1-[5-(carbamoylamino)-2-fluorophenyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide
CID 68617910
1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide
CID 15232962
ethyl 4-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-oxoquinoxaline-2-carboxylate
CID 134250841
4-[3-(2,6-dichlorophenoxy)indazol-1-yl]cyclohexane-1-carboxylic acid
CID 134137870
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1-propylcinnoline-3-carboxamide;hydrochloride
CID 19423202

Frequently Asked Questions

What is the IUPAC name of carbamoyl 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxylate?
The IUPAC name of carbamoyl 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxylate (CID 141138966) is carbamoyl 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxylate.
What is the SMILES notation for carbamoyl 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxylate?
The canonical SMILES for carbamoyl 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxylate is CN1C2CCC1CC(n1nc(C(=O)OC(N)=O)c3ccccc31)C2.
What is the InChIKey of carbamoyl 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxylate?
The InChIKey is RLXHZNRWCBAFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-20-10-6-7-11(20)9-12(8-10)21-14-5-3-2-4-13(14)15(19-21)16(22)24-17(18)23/h2-5,10-12H,6-9H2,1H3,(H2,18,23).
What are the key properties of carbamoyl 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxylate?
carbamoyl 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxylate is sourced from PubChem (CID 141138966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).