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

C54H60F6N8O5 — CID 163564933

IUPAC(4S)-3,4-dihydro-2H-chromen-4-amine;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;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid
SMILESCc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1C1=CCC(C(F)(F)F)CC1.Cc1nc2c(C(C)C)c(C(=O)O)cnn2c1C1=CCC(C(F)(F)F)CC1.N[C@H]1CCOc2ccccc21
InChIInChI=1S/C27H29F3N4O2.C18H20F3N3O2.C9H11NO/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;1-9(2)14-13(17(25)26)8-22-24-15(10(3)23-16(14)24)11-4-6-12(7-5-11)18(19,20)21;10-8-5-6-11-9-4-2-1-3-7(8)9/h4-8,14-15,18,21H,9-13H2,1-3H3,(H,33,35);4,8-9,12H,5-7H2,1-3H3,(H,25,26);1-4,8H,5-6,10H2/t18?,21-;;8-/m0.0/s1
InChIKeyFUKGGFSQANBECJ-NGCCDDKUSA-N
MW1015.11 g/mol
LogP12.23
Rot. Bonds7

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

(4S)-3,4-dihydro-2H-chromen-4-amine;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;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid (PubChem CID 163564933) has the molecular formula C54H60F6N8O5 and a molecular weight of 1015.11 g/mol. Its IUPAC name is (4S)-3,4-dihydro-2H-chromen-4-amine;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;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid.

Molecular Properties

Compound Name(4S)-3,4-dihydro-2H-chromen-4-amine;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;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid
PubChem CID163564933
Molecular FormulaC54H60F6N8O5
Molecular Weight1015.11 g/mol
Exact Mass1014.46
IUPAC Name(4S)-3,4-dihydro-2H-chromen-4-amine;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;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid
SMILESCc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1C1=CCC(C(F)(F)F)CC1.Cc1nc2c(C(C)C)c(C(=O)O)cnn2c1C1=CCC(C(F)(F)F)CC1.N[C@H]1CCOc2ccccc21
InChIInChI=1S/C27H29F3N4O2.C18H20F3N3O2.C9H11NO/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;1-9(2)14-13(17(25)26)8-22-24-15(10(3)23-16(14)24)11-4-6-12(7-5-11)18(19,20)21;10-8-5-6-11-9-4-2-1-3-7(8)9/h4-8,14-15,18,21H,9-13H2,1-3H3,(H,33,35);4,8-9,12H,5-7H2,1-3H3,(H,25,26);1-4,8H,5-6,10H2/t18?,21-;;8-/m0.0/s1
InChIKeyFUKGGFSQANBECJ-NGCCDDKUSA-N
XLogP12.23
TPSA171.26 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001015.11
LogP ≤ 512.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze (4S)-3,4-dihydro-2H-chromen-4-amine;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;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid 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

US11440913, Example 325
CID 142580829
US11440913, Example 193
CID 155074076
US11440913, Example 190
CID 155074099
US11440913, Example 68
CID 155074110
US11440913, Example 72
CID 155074191
US11440913, Example 310
CID 155074277
US11440913, Example 64
CID 155074303
US11440913, Example 195
CID 155074377
7-(benzylamino)-5-(7-fluorospiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 117815305
1-[[2-[[6-[2-(2,3-dihydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]methyl]-N-(2-methoxypyrimidin-4-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide
CID 123607613
N-(6-methylpyridin-2-yl)-6-[2-(trifluoromethoxy)phenyl]-8-[[4-[[6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]pyrimidin-2-yl]oxymethyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 126709324
8-[[2-[2-[1-(3-Carboxyimidazo[1,2-b]pyridazin-6-yl)oxyethyl]-4-fluorophenoxy]ethylamino]methyl]-6-[1-[5-fluoro-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 132157970

Frequently Asked Questions

What is the IUPAC name of (4S)-3,4-dihydro-2H-chromen-4-amine;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;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid?
The IUPAC name of (4S)-3,4-dihydro-2H-chromen-4-amine;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;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid (CID 163564933) is (4S)-3,4-dihydro-2H-chromen-4-amine;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;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid.
What is the SMILES notation for (4S)-3,4-dihydro-2H-chromen-4-amine;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;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid?
The canonical SMILES for (4S)-3,4-dihydro-2H-chromen-4-amine;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;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid is Cc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1C1=CCC(C(F)(F)F)CC1.Cc1nc2c(C(C)C)c(C(=O)O)cnn2c1C1=CCC(C(F)(F)F)CC1.N[C@H]1CCOc2ccccc21.
What is the InChIKey of (4S)-3,4-dihydro-2H-chromen-4-amine;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;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid?
The InChIKey is FUKGGFSQANBECJ-NGCCDDKUSA-N. The full InChI is InChI=1S/C27H29F3N4O2.C18H20F3N3O2.C9H11NO/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;1-9(2)14-13(17(25)26)8-22-24-15(10(3)23-16(14)24)11-4-6-12(7-5-11)18(19,20)21;10-8-5-6-11-9-4-2-1-3-7(8)9/h4-8,14-15,18,21H,9-13H2,1-3H3,(H,33,35);4,8-9,12H,5-7H2,1-3H3,(H,25,26);1-4,8H,5-6,10H2/t18?,21-;;8-/m0.0/s1.
What are the key properties of (4S)-3,4-dihydro-2H-chromen-4-amine;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;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid?
(4S)-3,4-dihydro-2H-chromen-4-amine;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;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid has a molecular weight of 1015.11 g/mol, XLogP of 12.23, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,4-dihydro-2H-chromen-4-amine;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;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid is sourced from PubChem (CID 163564933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).