1-(3-bicyclo[3.1.0]hexanyl)-4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperazin-2-one

C22H20ClF3N6O2 — CID 67085100

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperazin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(-n3ccnc3)cn2c1Cl)N1CCN(C2CC3CC3C2)C(=O)C1
InChIInChI=1S/C22H20ClF3N6O2/c23-19-18(21(34)29-3-4-31(17(33)10-29)14-6-12-5-13(12)7-14)28-20-16(22(24,25)26)8-15(9-32(19)20)30-2-1-27-11-30/h1-2,8-9,11-14H,3-7,10H2
InChIKeyFABLHJZLNWRLOT-UHFFFAOYSA-N
MW492.89 g/mol
LogP3.28
Rot. Bonds3

About 1-(3-bicyclo[3.1.0]hexanyl)-4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperazin-2-one

1-(3-bicyclo[3.1.0]hexanyl)-4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperazin-2-one (PubChem CID 67085100) has the molecular formula C22H20ClF3N6O2 and a molecular weight of 492.89 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperazin-2-one
PubChem CID67085100
Molecular FormulaC22H20ClF3N6O2
Molecular Weight492.89 g/mol
Exact Mass492.13
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperazin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(-n3ccnc3)cn2c1Cl)N1CCN(C2CC3CC3C2)C(=O)C1
InChIInChI=1S/C22H20ClF3N6O2/c23-19-18(21(34)29-3-4-31(17(33)10-29)14-6-12-5-13(12)7-14)28-20-16(22(24,25)26)8-15(9-32(19)20)30-2-1-27-11-30/h1-2,8-9,11-14H,3-7,10H2
InChIKeyFABLHJZLNWRLOT-UHFFFAOYSA-N
XLogP3.28
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.89
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3-bicyclo[3.1.0]hexanyl)-4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperazin-2-one?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperazin-2-one (CID 67085100) is 1-(3-bicyclo[3.1.0]hexanyl)-4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperazin-2-one?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperazin-2-one is O=C(c1nc2c(C(F)(F)F)cc(-n3ccnc3)cn2c1Cl)N1CCN(C2CC3CC3C2)C(=O)C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperazin-2-one?
The InChIKey is FABLHJZLNWRLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N6O2/c23-19-18(21(34)29-3-4-31(17(33)10-29)14-6-12-5-13(12)7-14)28-20-16(22(24,25)26)8-15(9-32(19)20)30-2-1-27-11-30/h1-2,8-9,11-14H,3-7,10H2.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperazin-2-one?
1-(3-bicyclo[3.1.0]hexanyl)-4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperazin-2-one has a molecular weight of 492.89 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 67085100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).