cis-(1R,2S)-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-(difluoromethyl)cyclopropane-1-carboxamide

C26H30F7N5O2 — CID 166825461

About cis-(1R,2S)-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-(difluoromethyl)cyclopropane-1-carboxamide

cis-(1R,2S)-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-(difluoromethyl)cyclopropane-1-carboxamide (PubChem CID 166825461) has the molecular formula C26H30F7N5O2 and a molecular weight of 577.55 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-(difluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,2S)-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-(difluoromethyl)cyclopropane-1-carboxamide
• PubChem CID: 166825461
• Molecular Formula: C26H30F7N5O2
• Molecular Weight: 577.55 g/mol
• Exact Mass: 577.23
• IUPAC Name: cis-(1R,2S)-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-(difluoromethyl)cyclopropane-1-carboxamide
• SMILES: O=C(CCC(F)(F)F)N[C@@H](c1cnn2cc([C@@H](NC(=O)[C@@H]3C[C@@H]3C(F)F)C3CCC(F)(F)CC3)nc2c1)C1CC1
• InChI: InChI=1S/C26H30F7N5O2/c27-23(28)16-10-17(16)24(40)37-22(14-3-6-25(29,30)7-4-14)18-12-38-19(35-18)9-15(11-34-38)21(13-1-2-13)36-20(39)5-8-26(31,32)33/h9,11-14,16-17,21-23H,1-8,10H2,(H,36,39)(H,37,40)/t16-,17+,21+,22-/m0/s1
• InChIKey: QMJJCOGVLAWQPV-DVRVPYBTSA-N
• XLogP: 5.52
• TPSA: 88.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.55
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-(difluoromethyl)cyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,2S)-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-(difluoromethyl)cyclopropane-1-carboxamide (CID 166825461) is cis-(1R,2S)-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-(difluoromethyl)cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,2S)-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-(difluoromethyl)cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,2S)-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-(difluoromethyl)cyclopropane-1-carboxamide is O=C(CCC(F)(F)F)N[C@@H](c1cnn2cc([C@@H](NC(=O)[C@@H]3C[C@@H]3C(F)F)C3CCC(F)(F)CC3)nc2c1)C1CC1.

What is the InChIKey of cis-(1R,2S)-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-(difluoromethyl)cyclopropane-1-carboxamide?

The InChIKey is QMJJCOGVLAWQPV-DVRVPYBTSA-N. The full InChI is InChI=1S/C26H30F7N5O2/c27-23(28)16-10-17(16)24(40)37-22(14-3-6-25(29,30)7-4-14)18-12-38-19(35-18)9-15(11-34-38)21(13-1-2-13)36-20(39)5-8-26(31,32)33/h9,11-14,16-17,21-23H,1-8,10H2,(H,36,39)(H,37,40)/t16-,17+,21+,22-/m0/s1.

What are the key properties of cis-(1R,2S)-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-(difluoromethyl)cyclopropane-1-carboxamide?

cis-(1R,2S)-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-(difluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 577.55 g/mol, XLogP of 5.52, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2S)-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-(difluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 166825461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).