(1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C16H20N4O — CID 86292354

IUPAC(1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(NC(=O)C1[C@H]2CNC[C@@H]12)c1nn(C)c2ccccc12
InChIInChI=1S/C16H20N4O/c1-9(18-16(21)14-11-7-17-8-12(11)14)15-10-5-3-4-6-13(10)20(2)19-15/h3-6,9,11-12,14,17H,7-8H2,1-2H3,(H,18,21)/t9?,11-,12+,14?
InChIKeyFTRILDRWYPFIHO-DPFJGMLESA-N
MW284.36 g/mol
LogP1.22
Rot. Bonds3

About (1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 86292354) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID86292354
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(NC(=O)C1[C@H]2CNC[C@@H]12)c1nn(C)c2ccccc12
InChIInChI=1S/C16H20N4O/c1-9(18-16(21)14-11-7-17-8-12(11)14)15-10-5-3-4-6-13(10)20(2)19-15/h3-6,9,11-12,14,17H,7-8H2,1-2H3,(H,18,21)/t9?,11-,12+,14?
InChIKeyFTRILDRWYPFIHO-DPFJGMLESA-N
XLogP1.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide 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

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Adb-butinaca
CID 155907792
(3H)granisetron
CID 3510
AB-Chminaca
CID 44206133
Granisetron (JAN/USAN/INN)
CID 5284566
AB-Pinaca
CID 71301472
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
5-Fluoro-AB-pinaca, (A+-)-
CID 102144602
App-butinaca
CID 154735174
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indazole-3-carboxamide
CID 5311254
Granisetron hydrochloride (JAN/USP)
CID 6918003
N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86280478

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 86292354) is (1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(NC(=O)C1[C@H]2CNC[C@@H]12)c1nn(C)c2ccccc12.
What is the InChIKey of (1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is FTRILDRWYPFIHO-DPFJGMLESA-N. The full InChI is InChI=1S/C16H20N4O/c1-9(18-16(21)14-11-7-17-8-12(11)14)15-10-5-3-4-6-13(10)20(2)19-15/h3-6,9,11-12,14,17H,7-8H2,1-2H3,(H,18,21)/t9?,11-,12+,14?.
What are the key properties of (1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 86292354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).