3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,2-dihydroindazole-3-carboxamide

C15H20N4O — CID 67293017

IUPAC3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,2-dihydroindazole-3-carboxamide
SMILESNC(=O)C1([C@@H]2CN3CCC2CC3)NNc2ccccc21
InChIInChI=1S/C15H20N4O/c16-14(20)15(11-3-1-2-4-13(11)17-18-15)12-9-19-7-5-10(12)6-8-19/h1-4,10,12,17-18H,5-9H2,(H2,16,20)/t12-,15?/m1/s1
InChIKeyMAKDPYKRFHUUIY-KEKZHRQWSA-N
MW272.35 g/mol
LogP0.64
Rot. Bonds2

About 3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,2-dihydroindazole-3-carboxamide

3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,2-dihydroindazole-3-carboxamide (PubChem CID 67293017) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,2-dihydroindazole-3-carboxamide.

Molecular Properties

Compound Name3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,2-dihydroindazole-3-carboxamide
PubChem CID67293017
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,2-dihydroindazole-3-carboxamide
SMILESNC(=O)C1([C@@H]2CN3CCC2CC3)NNc2ccccc21
InChIInChI=1S/C15H20N4O/c16-14(20)15(11-3-1-2-4-13(11)17-18-15)12-9-19-7-5-10(12)6-8-19/h1-4,10,12,17-18H,5-9H2,(H2,16,20)/t12-,15?/m1/s1
InChIKeyMAKDPYKRFHUUIY-KEKZHRQWSA-N
XLogP0.64
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,2-dihydroindazole-3-carboxamide?
The IUPAC name of 3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,2-dihydroindazole-3-carboxamide (CID 67293017) is 3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,2-dihydroindazole-3-carboxamide.
What is the SMILES notation for 3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,2-dihydroindazole-3-carboxamide?
The canonical SMILES for 3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,2-dihydroindazole-3-carboxamide is NC(=O)C1([C@@H]2CN3CCC2CC3)NNc2ccccc21.
What is the InChIKey of 3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,2-dihydroindazole-3-carboxamide?
The InChIKey is MAKDPYKRFHUUIY-KEKZHRQWSA-N. The full InChI is InChI=1S/C15H20N4O/c16-14(20)15(11-3-1-2-4-13(11)17-18-15)12-9-19-7-5-10(12)6-8-19/h1-4,10,12,17-18H,5-9H2,(H2,16,20)/t12-,15?/m1/s1.
What are the key properties of 3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,2-dihydroindazole-3-carboxamide?
3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,2-dihydroindazole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,2-dihydroindazole-3-carboxamide is sourced from PubChem (CID 67293017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).