3-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-cyclopropylindazole-1,3-dicarboxamide

C19H23N5O2 — CID 69225386

IUPAC3-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-cyclopropylindazole-1,3-dicarboxamide
SMILESNC(=O)n1nc(C(=O)N[C@H]2CN3CCC2CC3)c2cc(C3CC3)ccc21
InChIInChI=1S/C19H23N5O2/c20-19(26)24-16-4-3-13(11-1-2-11)9-14(16)17(22-24)18(25)21-15-10-23-7-5-12(15)6-8-23/h3-4,9,11-12,15H,1-2,5-8,10H2,(H2,20,26)(H,21,25)/t15-/m0/s1
InChIKeyORNKEMZPXYAWIQ-HNNXBMFYSA-N
MW353.43 g/mol
LogP1.66
Rot. Bonds3

About 3-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-cyclopropylindazole-1,3-dicarboxamide

3-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-cyclopropylindazole-1,3-dicarboxamide (PubChem CID 69225386) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-cyclopropylindazole-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-cyclopropylindazole-1,3-dicarboxamide
PubChem CID69225386
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name3-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-cyclopropylindazole-1,3-dicarboxamide
SMILESNC(=O)n1nc(C(=O)N[C@H]2CN3CCC2CC3)c2cc(C3CC3)ccc21
InChIInChI=1S/C19H23N5O2/c20-19(26)24-16-4-3-13(11-1-2-11)9-14(16)17(22-24)18(25)21-15-10-23-7-5-12(15)6-8-23/h3-4,9,11-12,15H,1-2,5-8,10H2,(H2,20,26)(H,21,25)/t15-/m0/s1
InChIKeyORNKEMZPXYAWIQ-HNNXBMFYSA-N
XLogP1.66
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-cyclopropylindazole-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-N-propan-2-ylindazole-1,3-dicarboxamide
CID 173194641
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-cyclohexyl-1H-indazole-3-carboxamide
CID 67231262
6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide
CID 62154374
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-(cyclopropanecarbonylamino)-1-(2,2,2-trifluoroethyl)indazole-3-carboxamide
CID 11510364
N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-3-carboxamide;hydrochloride
CID 23036705
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-[(3S)-3-(dimethylamino)cyclohexyl]-1,2-benzothiazole-3-carboxamide
CID 143432095
CID 87712170
CID 87712170
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 91948639
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43156107
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1H-indazole-3-carboxamide;hydrobromide
CID 67230292
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,2-benzothiazole-3-carboxamide
CID 58852167
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide
CID 66636210

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-cyclopropylindazole-1,3-dicarboxamide?
The IUPAC name of 3-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-cyclopropylindazole-1,3-dicarboxamide (CID 69225386) is 3-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-cyclopropylindazole-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-cyclopropylindazole-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-cyclopropylindazole-1,3-dicarboxamide is NC(=O)n1nc(C(=O)N[C@H]2CN3CCC2CC3)c2cc(C3CC3)ccc21.
What is the InChIKey of 3-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-cyclopropylindazole-1,3-dicarboxamide?
The InChIKey is ORNKEMZPXYAWIQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N5O2/c20-19(26)24-16-4-3-13(11-1-2-11)9-14(16)17(22-24)18(25)21-15-10-23-7-5-12(15)6-8-23/h3-4,9,11-12,15H,1-2,5-8,10H2,(H2,20,26)(H,21,25)/t15-/m0/s1.
What are the key properties of 3-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-cyclopropylindazole-1,3-dicarboxamide?
3-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-cyclopropylindazole-1,3-dicarboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-cyclopropylindazole-1,3-dicarboxamide is sourced from PubChem (CID 69225386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).