N-[(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-(1-methylcyclopropyl)-1,2-oxazole-4-carboxamide

C26H28F5N7O3 — CID 154984040

About N-[(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-(1-methylcyclopropyl)-1,2-oxazole-4-carboxamide

N-[(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-(1-methylcyclopropyl)-1,2-oxazole-4-carboxamide (PubChem CID 154984040) has the molecular formula C26H28F5N7O3 and a molecular weight of 581.55 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-(1-methylcyclopropyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-(1-methylcyclopropyl)-1,2-oxazole-4-carboxamide
• PubChem CID: 154984040
• Molecular Formula: C26H28F5N7O3
• Molecular Weight: 581.55 g/mol
• Exact Mass: 581.22
• IUPAC Name: N-[(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-(1-methylcyclopropyl)-1,2-oxazole-4-carboxamide
• SMILES: CC1(c2nocc2C(=O)NC(c2cn3ncc(CN4C[C@@H](C(F)(F)F)NC4=O)cc3n2)C2CCC(F)(F)CC2)CC1
• InChI: InChI=1S/C26H28F5N7O3/c1-24(6-7-24)21-16(13-41-36-21)22(39)35-20(15-2-4-25(27,28)5-3-15)17-11-38-19(33-17)8-14(9-32-38)10-37-12-18(26(29,30)31)34-23(37)40/h8-9,11,13,15,18,20H,2-7,10,12H2,1H3,(H,34,40)(H,35,39)/t18-,20?/m0/s1
• InChIKey: JLNXCCGAHBKYQI-LROBGIAVSA-N
• XLogP: 4.52
• TPSA: 117.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.55
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-(1-methylcyclopropyl)-1,2-oxazole-4-carboxamide?

The IUPAC name of N-[(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-(1-methylcyclopropyl)-1,2-oxazole-4-carboxamide (CID 154984040) is N-[(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-(1-methylcyclopropyl)-1,2-oxazole-4-carboxamide.

What is the SMILES notation for N-[(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-(1-methylcyclopropyl)-1,2-oxazole-4-carboxamide?

The canonical SMILES for N-[(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-(1-methylcyclopropyl)-1,2-oxazole-4-carboxamide is CC1(c2nocc2C(=O)NC(c2cn3ncc(CN4C[C@@H](C(F)(F)F)NC4=O)cc3n2)C2CCC(F)(F)CC2)CC1.

What is the InChIKey of N-[(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-(1-methylcyclopropyl)-1,2-oxazole-4-carboxamide?

The InChIKey is JLNXCCGAHBKYQI-LROBGIAVSA-N. The full InChI is InChI=1S/C26H28F5N7O3/c1-24(6-7-24)21-16(13-41-36-21)22(39)35-20(15-2-4-25(27,28)5-3-15)17-11-38-19(33-17)8-14(9-32-38)10-37-12-18(26(29,30)31)34-23(37)40/h8-9,11,13,15,18,20H,2-7,10,12H2,1H3,(H,34,40)(H,35,39)/t18-,20?/m0/s1.

What are the key properties of N-[(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-(1-methylcyclopropyl)-1,2-oxazole-4-carboxamide?

N-[(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-(1-methylcyclopropyl)-1,2-oxazole-4-carboxamide has a molecular weight of 581.55 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-(1-methylcyclopropyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 154984040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).