N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide

C27H29F3N4O2 — CID 162494446

About N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide (PubChem CID 162494446) has the molecular formula C27H29F3N4O2 and a molecular weight of 498.55 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide
• PubChem CID: 162494446
• Molecular Formula: C27H29F3N4O2
• Molecular Weight: 498.55 g/mol
• Exact Mass: 498.22
• IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide
• SMILES: Cc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1C1=CCC(C(F)(F)F)CC1
• InChI: InChI=1S/C27H29F3N4O2/c1-15(2)23-20(26(35)33-21-12-13-36-22-7-5-4-6-19(21)22)14-31-34-24(16(3)32-25(23)34)17-8-10-18(11-9-17)27(28,29)30/h4-8,14-15,18,21H,9-13H2,1-3H3,(H,33,35)/t18?,21-/m0/s1
• InChIKey: XFENUTZHCAFXIS-ZYZRXSCRSA-N
• XLogP: 6.16
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.55
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide?

The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide (CID 162494446) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide.

What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide?

The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide is Cc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1C1=CCC(C(F)(F)F)CC1.

What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide?

The InChIKey is XFENUTZHCAFXIS-ZYZRXSCRSA-N. The full InChI is InChI=1S/C27H29F3N4O2/c1-15(2)23-20(26(35)33-21-12-13-36-22-7-5-4-6-19(21)22)14-31-34-24(16(3)32-25(23)34)17-8-10-18(11-9-17)27(28,29)30/h4-8,14-15,18,21H,9-13H2,1-3H3,(H,33,35)/t18?,21-/m0/s1.

What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide?

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 498.55 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 162494446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).