N-[(3R)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-6-carboxamide

C16H20N4O — CID 67562654

IUPACN-[(3R)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-6-carboxamide
SMILESO=C(N[C@@H]1CCCC2CCN2C1)c1ccc2cn[nH]c2c1
InChIInChI=1S/C16H20N4O/c21-16(11-4-5-12-9-17-19-15(12)8-11)18-13-2-1-3-14-6-7-20(14)10-13/h4-5,8-9,13-14H,1-3,6-7,10H2,(H,17,19)(H,18,21)/t13-,14?/m1/s1
InChIKeyPPBBGJAJIDOGTP-KWCCSABGSA-N
MW284.36 g/mol
LogP1.92
Rot. Bonds2

About N-[(3R)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-6-carboxamide

N-[(3R)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-6-carboxamide (PubChem CID 67562654) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-6-carboxamide
PubChem CID67562654
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(3R)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-6-carboxamide
SMILESO=C(N[C@@H]1CCCC2CCN2C1)c1ccc2cn[nH]c2c1
InChIInChI=1S/C16H20N4O/c21-16(11-4-5-12-9-17-19-15(12)8-11)18-13-2-1-3-14-6-7-20(14)10-13/h4-5,8-9,13-14H,1-3,6-7,10H2,(H,17,19)(H,18,21)/t13-,14?/m1/s1
InChIKeyPPBBGJAJIDOGTP-KWCCSABGSA-N
XLogP1.92
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Kw-2449
CID 11427553
N-cyclopentyl-1H-indazole-3-carboxamide
CID 2563801
1H-Indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide
CID 10062433
N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide
CID 10469531
N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide
CID 22933917
[4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-(1-piperazinyl)methanone
CID 67089852
2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide
CID 129052051
3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide
CID 129052097
1-[(3-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
CID 129052116
1H-Indazole-6-carboxamide
CID 22360481
N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-1H-indazole-3-carboxamide
CID 10859597
(R)-1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-amino-2-phenylethanone
CID 16662098

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-6-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-6-carboxamide (CID 67562654) is N-[(3R)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-6-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-6-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-6-carboxamide is O=C(N[C@@H]1CCCC2CCN2C1)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-[(3R)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-6-carboxamide?
The InChIKey is PPBBGJAJIDOGTP-KWCCSABGSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(11-4-5-12-9-17-19-15(12)8-11)18-13-2-1-3-14-6-7-20(14)10-13/h4-5,8-9,13-14H,1-3,6-7,10H2,(H,17,19)(H,18,21)/t13-,14?/m1/s1.
What are the key properties of N-[(3R)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-6-carboxamide?
N-[(3R)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-6-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-6-carboxamide is sourced from PubChem (CID 67562654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).