N-[(R)-cyclopropyl-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide

C23H28F4N4O — CID 157031854

IUPACN-[(R)-cyclopropyl-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESO=C(CC1CC(F)(F)C1)N[C@@H](c1cnn2cc(CC3CCC(F)(F)CC3)nc2c1)C1CC1
InChIInChI=1S/C23H28F4N4O/c24-22(25)5-3-14(4-6-22)7-18-13-31-19(29-18)9-17(12-28-31)21(16-1-2-16)30-20(32)8-15-10-23(26,27)11-15/h9,12-16,21H,1-8,10-11H2,(H,30,32)/t21-/m1/s1
InChIKeyRXPAUGXYPIHTEO-OAQYLSRUSA-N
MW452.50 g/mol
LogP5.10
Rot. Bonds7

About N-[(R)-cyclopropyl-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide

N-[(R)-cyclopropyl-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide (PubChem CID 157031854) has the molecular formula C23H28F4N4O and a molecular weight of 452.50 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide
PubChem CID157031854
Molecular FormulaC23H28F4N4O
Molecular Weight452.50 g/mol
Exact Mass452.22
IUPAC NameN-[(R)-cyclopropyl-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESO=C(CC1CC(F)(F)C1)N[C@@H](c1cnn2cc(CC3CCC(F)(F)CC3)nc2c1)C1CC1
InChIInChI=1S/C23H28F4N4O/c24-22(25)5-3-14(4-6-22)7-18-13-31-19(29-18)9-17(12-28-31)21(16-1-2-16)30-20(32)8-15-10-23(26,27)11-15/h9,12-16,21H,1-8,10-11H2,(H,30,32)/t21-/m1/s1
InChIKeyRXPAUGXYPIHTEO-OAQYLSRUSA-N
XLogP5.10
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.50
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(R)-cyclopropyl-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide 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-[3-[6-[(1-methyl-4-piperidyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]cyclopropanecarboxamide
CID 53358639
4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
CID 56663214
N-cyclopropyl-4-[8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 66691598
4-cyclopropyl-N-[(S)-(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide
CID 154642692
N-(2-aminopropyl)-4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl)benzamide
CID 49865329
4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl)-N-(1-(dimethylamino)propan-2-yl)benzamide
CID 49865330
4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl)-N-(((2S,4R)-4-fluoropyrrolidin-2-yl)methyl)benzamide
CID 53316856
4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl)-N-(((2R,3S)-3-fluoropyrrolidin-2-yl)methyl)benzamide
CID 53325628
4-[6-(cyclobutylamino)imidazo[1,2-b]pyridazin-3-yl]-2-fluoro-N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]benzamide
CID 53363921
4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 56659739
4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-fluoro-N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]benzamide
CID 56666652
N-(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-2-(3,5-difluorophenyl)acetamide
CID 155524628

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide?
The IUPAC name of N-[(R)-cyclopropyl-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide (CID 157031854) is N-[(R)-cyclopropyl-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide.
What is the SMILES notation for N-[(R)-cyclopropyl-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide?
The canonical SMILES for N-[(R)-cyclopropyl-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide is O=C(CC1CC(F)(F)C1)N[C@@H](c1cnn2cc(CC3CCC(F)(F)CC3)nc2c1)C1CC1.
What is the InChIKey of N-[(R)-cyclopropyl-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide?
The InChIKey is RXPAUGXYPIHTEO-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28F4N4O/c24-22(25)5-3-14(4-6-22)7-18-13-31-19(29-18)9-17(12-28-31)21(16-1-2-16)30-20(32)8-15-10-23(26,27)11-15/h9,12-16,21H,1-8,10-11H2,(H,30,32)/t21-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide?
N-[(R)-cyclopropyl-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide has a molecular weight of 452.50 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide is sourced from PubChem (CID 157031854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).