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

C27H29F7N6O4 — CID 166499910

IUPAC5-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-3-(2,2-difluoroethoxy)-1,2-oxazole-4-carboxamide
SMILESNC(=O)c1c(OCC(F)F)noc1[C@H](c1cn2ncc([C@H](NC(=O)CCC(F)(F)F)C3CC3)cc2n1)C1CCC(F)(F)CC1
InChIInChI=1S/C27H29F7N6O4/c28-17(29)12-43-25-21(24(35)42)23(44-39-25)20(13-3-6-26(30,31)7-4-13)16-11-40-18(37-16)9-15(10-36-40)22(14-1-2-14)38-19(41)5-8-27(32,33)34/h9-11,13-14,17,20,22H,1-8,12H2,(H2,35,42)(H,38,41)/t20-,22+/m0/s1
InChIKeySEVDIYKGNRPIKJ-RBBKRZOGSA-N
MW634.55 g/mol
LogP5.33
Rot. Bonds12

About 5-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-3-(2,2-difluoroethoxy)-1,2-oxazole-4-carboxamide

5-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-3-(2,2-difluoroethoxy)-1,2-oxazole-4-carboxamide (PubChem CID 166499910) has the molecular formula C27H29F7N6O4 and a molecular weight of 634.55 g/mol. Its IUPAC name is 5-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-3-(2,2-difluoroethoxy)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-3-(2,2-difluoroethoxy)-1,2-oxazole-4-carboxamide
PubChem CID166499910
Molecular FormulaC27H29F7N6O4
Molecular Weight634.55 g/mol
Exact Mass634.21
IUPAC Name5-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-3-(2,2-difluoroethoxy)-1,2-oxazole-4-carboxamide
SMILESNC(=O)c1c(OCC(F)F)noc1[C@H](c1cn2ncc([C@H](NC(=O)CCC(F)(F)F)C3CC3)cc2n1)C1CCC(F)(F)CC1
InChIInChI=1S/C27H29F7N6O4/c28-17(29)12-43-25-21(24(35)42)23(44-39-25)20(13-3-6-26(30,31)7-4-13)16-11-40-18(37-16)9-15(10-36-40)22(14-1-2-14)38-19(41)5-8-27(32,33)34/h9-11,13-14,17,20,22H,1-8,12H2,(H2,35,42)(H,38,41)/t20-,22+/m0/s1
InChIKeySEVDIYKGNRPIKJ-RBBKRZOGSA-N
XLogP5.33
TPSA137.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.55
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-3-(2,2-difluoroethoxy)-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

Frequently Asked Questions

What is the IUPAC name of 5-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-3-(2,2-difluoroethoxy)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-3-(2,2-difluoroethoxy)-1,2-oxazole-4-carboxamide (CID 166499910) is 5-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-3-(2,2-difluoroethoxy)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-3-(2,2-difluoroethoxy)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-3-(2,2-difluoroethoxy)-1,2-oxazole-4-carboxamide is NC(=O)c1c(OCC(F)F)noc1[C@H](c1cn2ncc([C@H](NC(=O)CCC(F)(F)F)C3CC3)cc2n1)C1CCC(F)(F)CC1.
What is the InChIKey of 5-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-3-(2,2-difluoroethoxy)-1,2-oxazole-4-carboxamide?
The InChIKey is SEVDIYKGNRPIKJ-RBBKRZOGSA-N. The full InChI is InChI=1S/C27H29F7N6O4/c28-17(29)12-43-25-21(24(35)42)23(44-39-25)20(13-3-6-26(30,31)7-4-13)16-11-40-18(37-16)9-15(10-36-40)22(14-1-2-14)38-19(41)5-8-27(32,33)34/h9-11,13-14,17,20,22H,1-8,12H2,(H2,35,42)(H,38,41)/t20-,22+/m0/s1.
What are the key properties of 5-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-3-(2,2-difluoroethoxy)-1,2-oxazole-4-carboxamide?
5-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-3-(2,2-difluoroethoxy)-1,2-oxazole-4-carboxamide has a molecular weight of 634.55 g/mol, XLogP of 5.33, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-3-(2,2-difluoroethoxy)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166499910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).