(1S,5R)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C17H21FN4O — CID 86291761

IUPAC(1S,5R)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCn1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2c(F)cccc21
InChIInChI=1S/C17H21FN4O/c1-17(2,20-16(23)13-9-7-19-8-10(9)13)15-14-11(18)5-4-6-12(14)22(3)21-15/h4-6,9-10,13,19H,7-8H2,1-3H3,(H,20,23)/t9-,10+,13?
InChIKeyBIGFWJYIMBHCJM-HWYHXSKPSA-N
MW316.38 g/mol
LogP1.53
Rot. Bonds3

About (1S,5R)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 86291761) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is (1S,5R)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID86291761
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name(1S,5R)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCn1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2c(F)cccc21
InChIInChI=1S/C17H21FN4O/c1-17(2,20-16(23)13-9-7-19-8-10(9)13)15-14-11(18)5-4-6-12(14)22(3)21-15/h4-6,9-10,13,19H,7-8H2,1-3H3,(H,20,23)/t9-,10+,13?
InChIKeyBIGFWJYIMBHCJM-HWYHXSKPSA-N
XLogP1.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,5R)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-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
5F-Cumyl-PINACA
CID 86274158
5-Fluoro-AB-pinaca, (A+-)-
CID 102144602
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indazole-3-carboxamide
CID 5311254
rac-(1R,5S,6R)-N-(2-(1-methyl-1H-indazol-3-yl)propan-2-yl)-3-azabicyclo(3.1.0)hexane-6-carboxamide
CID 86294248
5-Fluoro-AB-PINACA
CID 91936927
N-[(1R,5S)-8-[6-[methyl(propan-2-yl)amino]hexyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 70696826
N-piperidin-4-yl-1-propan-2-ylindazole-3-carboxamide
CID 10493462
N-(1-methylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide
CID 10494465
N-[2-(4-acetamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide
CID 10499481
N-(3-piperidin-1-ylpropyl)-1-propan-2-ylindazole-3-carboxamide
CID 10592401
N-(4-piperidin-1-ylbutyl)-1-propan-2-ylindazole-3-carboxamide
CID 10593430

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 86291761) is (1S,5R)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is Cn1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2c(F)cccc21.
What is the InChIKey of (1S,5R)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is BIGFWJYIMBHCJM-HWYHXSKPSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-17(2,20-16(23)13-9-7-19-8-10(9)13)15-14-11(18)5-4-6-12(14)22(3)21-15/h4-6,9-10,13,19H,7-8H2,1-3H3,(H,20,23)/t9-,10+,13?.
What are the key properties of (1S,5R)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[2-(4-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 86291761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).