N-[(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide

C21H22F5N7O — CID 166500443

IUPACN-[(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide
SMILESC=Cc1cnn2cc(C(NC(=O)c3cnnn3CCC(F)(F)F)C3CCC(F)(F)CC3)nc2c1
InChIInChI=1S/C21H22F5N7O/c1-2-13-9-17-29-15(12-33(17)28-10-13)18(14-3-5-20(22,23)6-4-14)30-19(34)16-11-27-31-32(16)8-7-21(24,25)26/h2,9-12,14,18H,1,3-8H2,(H,30,34)
InChIKeyXYPLGYCATJVDKD-UHFFFAOYSA-N
MW483.45 g/mol
LogP4.21
Rot. Bonds7

About N-[(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide

N-[(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide (PubChem CID 166500443) has the molecular formula C21H22F5N7O and a molecular weight of 483.45 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide
PubChem CID166500443
Molecular FormulaC21H22F5N7O
Molecular Weight483.45 g/mol
Exact Mass483.18
IUPAC NameN-[(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide
SMILESC=Cc1cnn2cc(C(NC(=O)c3cnnn3CCC(F)(F)F)C3CCC(F)(F)CC3)nc2c1
InChIInChI=1S/C21H22F5N7O/c1-2-13-9-17-29-15(12-33(17)28-10-13)18(14-3-5-20(22,23)6-4-14)30-19(34)16-11-27-31-32(16)8-7-21(24,25)26/h2,9-12,14,18H,1,3-8H2,(H,30,34)
InChIKeyXYPLGYCATJVDKD-UHFFFAOYSA-N
XLogP4.21
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)triazole-4-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

Selitrectinib
CID 129103609
5-{[(1r,2s)-2-Aminocyclohexyl]amino}-N-[1-Methyl-3-(Trifluoromethyl)-1h-Pyrazol-4-Yl]pyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 122181630
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181631
5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181643
6-[3-(2,2-Difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122510927
4-(8-(tert-Butyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one
CID 117977934
N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 165414967
(6S,15S)-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one
CID 162659419
N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 16279042
7-(difluoromethyl)-3-[(2-ethyl-1H-imidazol-1-yl)carbonyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 1289753
5-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063146
(6-Methylimidazo[1,2-b]pyridazin-2-yl)(4-(2-(trifluoromethyl)phenyl) piperidin-1-yl)methanone
CID 81689710

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide?
The IUPAC name of N-[(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide (CID 166500443) is N-[(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide is C=Cc1cnn2cc(C(NC(=O)c3cnnn3CCC(F)(F)F)C3CCC(F)(F)CC3)nc2c1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide?
The InChIKey is XYPLGYCATJVDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F5N7O/c1-2-13-9-17-29-15(12-33(17)28-10-13)18(14-3-5-20(22,23)6-4-14)30-19(34)16-11-27-31-32(16)8-7-21(24,25)26/h2,9-12,14,18H,1,3-8H2,(H,30,34).
What are the key properties of N-[(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide?
N-[(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide has a molecular weight of 483.45 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)-(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)triazole-4-carboxamide is sourced from PubChem (CID 166500443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).