3-cyclobutyl-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-4-carboxamide

C29H33F5N6O3 — CID 166500001

IUPAC3-cyclobutyl-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-4-carboxamide
SMILESO=C(CCC(F)(F)F)N[C@@H](c1cnn2cc([C@@H](NC(=O)c3conc3C3CCC3)C3CCC(F)(F)CC3)nc2c1)C1CC1
InChIInChI=1S/C29H33F5N6O3/c30-28(31)9-6-18(7-10-28)26(38-27(42)20-15-43-39-25(20)16-2-1-3-16)21-14-40-22(36-21)12-19(13-35-40)24(17-4-5-17)37-23(41)8-11-29(32,33)34/h12-18,24,26H,1-11H2,(H,37,41)(H,38,42)/t24-,26+/m1/s1
InChIKeyFETGLJDDHZXING-RSXGOPAZSA-N
MW608.61 g/mol
LogP6.19
Rot. Bonds10

About 3-cyclobutyl-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-4-carboxamide

3-cyclobutyl-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 166500001) has the molecular formula C29H33F5N6O3 and a molecular weight of 608.61 g/mol. Its IUPAC name is 3-cyclobutyl-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclobutyl-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID166500001
Molecular FormulaC29H33F5N6O3
Molecular Weight608.61 g/mol
Exact Mass608.25
IUPAC Name3-cyclobutyl-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-4-carboxamide
SMILESO=C(CCC(F)(F)F)N[C@@H](c1cnn2cc([C@@H](NC(=O)c3conc3C3CCC3)C3CCC(F)(F)CC3)nc2c1)C1CC1
InChIInChI=1S/C29H33F5N6O3/c30-28(31)9-6-18(7-10-28)26(38-27(42)20-15-43-39-25(20)16-2-1-3-16)21-14-40-22(36-21)12-19(13-35-40)24(17-4-5-17)37-23(41)8-11-29(32,33)34/h12-18,24,26H,1-11H2,(H,37,41)(H,38,42)/t24-,26+/m1/s1
InChIKeyFETGLJDDHZXING-RSXGOPAZSA-N
XLogP6.19
TPSA114.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.61
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-cyclobutyl-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-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

N-[(S)-[7-[cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-3-propan-2-yl-1,2-oxazole-4-carboxamide
CID 167245596
3-cyclopropyl-N-[(S)-[7-[(R)-cyclopropyl-[(4,4,4-trifluoro-3-methylbutanoyl)amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-4-carboxamide
CID 166500361
3-cyclopropyl-N-[(S)-[7-[cyclopropyl-[[(3S)-4,4,4-trifluoro-3-methylbutanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-4-carboxamide
CID 167245353
4-cyclopropyl-N-[[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 166825333
2-cyclopropyl-N-[(S)-[7-[cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]pyridine-3-carboxamide
CID 167245124
N-[(S)-(4,4-difluorocyclohexyl)-[7-[1-(4,4,4-trifluorobutanoylamino)ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 166500215
N-[(S)-[7-[(R)-cyclobutyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-5-ethyl-1,2-oxazole-4-carboxamide
CID 170032862
3-cyclopropyl-N-[(S)-(4,4-difluorocyclohexyl)-[7-[(R)-hydroxy-[(4,4,4-trifluoro-3-methylbutanoyl)amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 157031234
N-[(S)-[7-[cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-(2,2,2-trifluoroethyl)benzamide
CID 167245670
N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1-fluorocyclopropane-1-carboxamide
CID 166500164
N-[(S)-[7-[cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1-fluorocyclopropane-1-carboxamide
CID 167245093
N-[(S)-[7-[cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
CID 167245263

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-cyclobutyl-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-4-carboxamide (CID 166500001) is 3-cyclobutyl-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-cyclobutyl-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-cyclobutyl-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-4-carboxamide is O=C(CCC(F)(F)F)N[C@@H](c1cnn2cc([C@@H](NC(=O)c3conc3C3CCC3)C3CCC(F)(F)CC3)nc2c1)C1CC1.
What is the InChIKey of 3-cyclobutyl-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is FETGLJDDHZXING-RSXGOPAZSA-N. The full InChI is InChI=1S/C29H33F5N6O3/c30-28(31)9-6-18(7-10-28)26(38-27(42)20-15-43-39-25(20)16-2-1-3-16)21-14-40-22(36-21)12-19(13-35-40)24(17-4-5-17)37-23(41)8-11-29(32,33)34/h12-18,24,26H,1-11H2,(H,37,41)(H,38,42)/t24-,26+/m1/s1.
What are the key properties of 3-cyclobutyl-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-4-carboxamide?
3-cyclobutyl-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 608.61 g/mol, XLogP of 6.19, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166500001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).