6-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-b]pyridazine-2-carboxamide

C21H19ClF3N7O — CID 166009126

IUPAC6-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-b]pyridazine-2-carboxamide
SMILESO=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1cn2nc(Cl)ccc2n1
InChIInChI=1S/C21H19ClF3N7O/c22-16-8-9-19-28-14(10-32(19)30-16)20(33)27-13-6-4-12(5-7-13)26-17-2-1-3-18-29-15(11-31(17)18)21(23,24)25/h1-3,8-13,26H,4-7H2,(H,27,33)
InChIKeyRDOTYYWXQWSOKW-UHFFFAOYSA-N
MW477.88 g/mol
LogP4.20
Rot. Bonds4

About 6-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-b]pyridazine-2-carboxamide

6-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 166009126) has the molecular formula C21H19ClF3N7O and a molecular weight of 477.88 g/mol. Its IUPAC name is 6-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID166009126
Molecular FormulaC21H19ClF3N7O
Molecular Weight477.88 g/mol
Exact Mass477.13
IUPAC Name6-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-b]pyridazine-2-carboxamide
SMILESO=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1cn2nc(Cl)ccc2n1
InChIInChI=1S/C21H19ClF3N7O/c22-16-8-9-19-28-14(10-32(19)30-16)20(33)27-13-6-4-12(5-7-13)26-17-2-1-3-18-29-15(11-31(17)18)21(23,24)25/h1-3,8-13,26H,4-7H2,(H,27,33)
InChIKeyRDOTYYWXQWSOKW-UHFFFAOYSA-N
XLogP4.20
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.88
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-b]pyridazine-2-carboxamide 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 6-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-b]pyridazine-2-carboxamide (CID 166009126) is 6-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-b]pyridazine-2-carboxamide is O=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1cn2nc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is RDOTYYWXQWSOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N7O/c22-16-8-9-19-28-14(10-32(19)30-16)20(33)27-13-6-4-12(5-7-13)26-17-2-1-3-18-29-15(11-31(17)18)21(23,24)25/h1-3,8-13,26H,4-7H2,(H,27,33).
What are the key properties of 6-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-b]pyridazine-2-carboxamide?
6-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 477.88 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 166009126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).