N-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-carboxamide

C16H20N4O — CID 67561766

IUPACN-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-carboxamide
SMILESO=C(N[C@H]1CCCC2CCN2C1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C16H20N4O/c21-16(11-4-5-15-12(8-11)9-17-19-15)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?/m0/s1
InChIKeySGCPGRAIFUXYFI-LSLKUGRBSA-N
MW284.36 g/mol
LogP1.92
Rot. Bonds2

About N-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-carboxamide

N-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-carboxamide (PubChem CID 67561766) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-carboxamide
PubChem CID67561766
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-carboxamide
SMILESO=C(N[C@H]1CCCC2CCN2C1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C16H20N4O/c21-16(11-4-5-15-12(8-11)9-17-19-15)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?/m0/s1
InChIKeySGCPGRAIFUXYFI-LSLKUGRBSA-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

N-(1-cyclopentylpiperidin-3-yl)-1H-indazole-5-carboxamide
CID 22933774
N-[(3R)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-6-carboxamide
CID 67562654
N-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide
CID 22933430
N-(1-butylpiperidin-3-yl)-1H-indazole-5-carboxamide
CID 22933593
N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 97056408
N-(1-methylpiperidin-3-yl)-1H-indazole-6-carboxamide
CID 55133135
N-[4-(propan-2-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 18447571
4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 60810348
N-(3-methylcyclopentyl)-1H-indazole-5-carboxamide
CID 114550169
3-(1H-indazole-5-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030707
N-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 22933507
3-(1H-indazole-6-carbonylamino)cyclohexane-1-carboxylic acid
CID 63043468

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-carboxamide (CID 67561766) is N-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-carboxamide is O=C(N[C@H]1CCCC2CCN2C1)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-carboxamide?
The InChIKey is SGCPGRAIFUXYFI-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(11-4-5-15-12(8-11)9-17-19-15)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?/m0/s1.
What are the key properties of N-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-carboxamide?
N-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-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-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 67561766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).