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

C81H91F9N12O6 — CID 163519109

IUPACN-[(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;bis(N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexyl]imidazo[1,2-b]pyridazine-7-carboxamide)
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)N[C@H]3CCOc4ccccc43)cnn2c1C1CCC(C(F)(F)F)CC1.Cc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1C1CCC(C(F)(F)F)CC1
InChIInChI=1S/2C27H31F3N4O2.C27H29F3N4O2/c3*1-15(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/h2*4-7,14-15,17-18,21H,8-13H2,1-3H3,(H,33,35);4-8,14-15,18,21H,9-13H2,1-3H3,(H,33,35)/t2*17?,18?,21-;18?,21-/m000/s1
InChIKeyDJFYKBDZTXFKML-UWMGBCCASA-N
MW1499.68 g/mol
LogP18.66
Rot. Bonds12

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;bis(N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexyl]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;bis(N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexyl]imidazo[1,2-b]pyridazine-7-carboxamide) (PubChem CID 163519109) has the molecular formula C81H91F9N12O6 and a molecular weight of 1499.68 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;bis(N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexyl]imidazo[1,2-b]pyridazine-7-carboxamide).

Molecular Properties

Compound NameN-[(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;bis(N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexyl]imidazo[1,2-b]pyridazine-7-carboxamide)
PubChem CID163519109
Molecular FormulaC81H91F9N12O6
Molecular Weight1499.68 g/mol
Exact Mass1498.70
IUPAC NameN-[(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;bis(N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexyl]imidazo[1,2-b]pyridazine-7-carboxamide)
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)N[C@H]3CCOc4ccccc43)cnn2c1C1CCC(C(F)(F)F)CC1.Cc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1C1CCC(C(F)(F)F)CC1
InChIInChI=1S/2C27H31F3N4O2.C27H29F3N4O2/c3*1-15(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/h2*4-7,14-15,17-18,21H,8-13H2,1-3H3,(H,33,35);4-8,14-15,18,21H,9-13H2,1-3H3,(H,33,35)/t2*17?,18?,21-;18?,21-/m000/s1
InChIKeyDJFYKBDZTXFKML-UWMGBCCASA-N
XLogP18.66
TPSA205.56 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001499.68
LogP ≤ 518.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 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;bis(N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexyl]imidazo[1,2-b]pyridazine-7-carboxamide) with MolForge

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Related Compounds

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N-[4-[2-[3-[(3-fluoropyridin-4-yl)carbamoyl]-2-methyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-8-yl]ethyl]-6-methylpyridin-2-yl]-2,8-dimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
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N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;6-oxo-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyrimidine-4-carboxamide
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N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-yl-3-(2,3,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
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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;bis(N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexyl]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;bis(N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexyl]imidazo[1,2-b]pyridazine-7-carboxamide) (CID 163519109) 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;bis(N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexyl]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;bis(N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexyl]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;bis(N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexyl]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.Cc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1C1CCC(C(F)(F)F)CC1.Cc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1C1CCC(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;bis(N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexyl]imidazo[1,2-b]pyridazine-7-carboxamide)?
The InChIKey is DJFYKBDZTXFKML-UWMGBCCASA-N. The full InChI is InChI=1S/2C27H31F3N4O2.C27H29F3N4O2/c3*1-15(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/h2*4-7,14-15,17-18,21H,8-13H2,1-3H3,(H,33,35);4-8,14-15,18,21H,9-13H2,1-3H3,(H,33,35)/t2*17?,18?,21-;18?,21-/m000/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;bis(N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexyl]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;bis(N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexyl]imidazo[1,2-b]pyridazine-7-carboxamide) has a molecular weight of 1499.68 g/mol, XLogP of 18.66, 12 rotatable bonds, 3 hydrogen bond donors, and 15 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;bis(N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexyl]imidazo[1,2-b]pyridazine-7-carboxamide) is sourced from PubChem (CID 163519109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).