3-chloro-2-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-chloro-2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid

C41H32Cl6FN7O4 — CID 163494639

IUPAC3-chloro-2-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-chloro-2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid
SMILESCC(C)c1c(C(=O)N[C@H]2CCOc3ccc(F)cc32)cnn2c(Cl)c(-c3cc(Cl)cc(Cl)c3)nc12.CC(C)c1c(C(=O)O)cnn2c(Cl)c(-c3cc(Cl)cc(Cl)c3)nc12
InChIInChI=1S/C25H20Cl3FN4O2.C16H12Cl3N3O2/c1-12(2)21-18(25(34)31-19-5-6-35-20-4-3-16(29)10-17(19)20)11-30-33-23(28)22(32-24(21)33)13-7-14(26)9-15(27)8-13;1-7(2)12-11(16(23)24)6-20-22-14(19)13(21-15(12)22)8-3-9(17)5-10(18)4-8/h3-4,7-12,19H,5-6H2,1-2H3,(H,31,34);3-7H,1-2H3,(H,23,24)/t19-;/m0./s1
InChIKeyCPQBRFGESZXHNR-FYZYNONXSA-N
MW918.47 g/mol
LogP12.05
Rot. Bonds7

About 3-chloro-2-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-chloro-2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid

3-chloro-2-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-chloro-2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid (PubChem CID 163494639) has the molecular formula C41H32Cl6FN7O4 and a molecular weight of 918.47 g/mol. Its IUPAC name is 3-chloro-2-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-chloro-2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-chloro-2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid
PubChem CID163494639
Molecular FormulaC41H32Cl6FN7O4
Molecular Weight918.47 g/mol
Exact Mass915.06
IUPAC Name3-chloro-2-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-chloro-2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid
SMILESCC(C)c1c(C(=O)N[C@H]2CCOc3ccc(F)cc32)cnn2c(Cl)c(-c3cc(Cl)cc(Cl)c3)nc12.CC(C)c1c(C(=O)O)cnn2c(Cl)c(-c3cc(Cl)cc(Cl)c3)nc12
InChIInChI=1S/C25H20Cl3FN4O2.C16H12Cl3N3O2/c1-12(2)21-18(25(34)31-19-5-6-35-20-4-3-16(29)10-17(19)20)11-30-33-23(28)22(32-24(21)33)13-7-14(26)9-15(27)8-13;1-7(2)12-11(16(23)24)6-20-22-14(19)13(21-15(12)22)8-3-9(17)5-10(18)4-8/h3-4,7-12,19H,5-6H2,1-2H3,(H,31,34);3-7H,1-2H3,(H,23,24)/t19-;/m0./s1
InChIKeyCPQBRFGESZXHNR-FYZYNONXSA-N
XLogP12.05
TPSA136.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.47
LogP ≤ 512.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-chloro-2-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-chloro-2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid with MolForge

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Related Compounds

1-[2-[4-[2-[3-[5-Chloro-2-(difluoromethoxy)phenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]piperazin-1-yl]ethyl]-2-methylpiperidine-4-carboxylic acid
CID 118522702
3-(3-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 153468060
3-(3-chloro-4-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 153468087
3-(5-chloro-2-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 153468098
3-(3,5-dichloro-4-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 153468101
3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2-hydroxypropan-2-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide
CID 162494377
3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide
CID 162494399
3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2-fluoropropan-2-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide
CID 162494411
3-chloro-2-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide
CID 162494415
3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxamide
CID 162494471
3-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxamide
CID 162494491
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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-chloro-2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid?
The IUPAC name of 3-chloro-2-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-chloro-2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid (CID 163494639) is 3-chloro-2-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-chloro-2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid.
What is the SMILES notation for 3-chloro-2-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-chloro-2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid?
The canonical SMILES for 3-chloro-2-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-chloro-2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid is CC(C)c1c(C(=O)N[C@H]2CCOc3ccc(F)cc32)cnn2c(Cl)c(-c3cc(Cl)cc(Cl)c3)nc12.CC(C)c1c(C(=O)O)cnn2c(Cl)c(-c3cc(Cl)cc(Cl)c3)nc12.
What is the InChIKey of 3-chloro-2-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-chloro-2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid?
The InChIKey is CPQBRFGESZXHNR-FYZYNONXSA-N. The full InChI is InChI=1S/C25H20Cl3FN4O2.C16H12Cl3N3O2/c1-12(2)21-18(25(34)31-19-5-6-35-20-4-3-16(29)10-17(19)20)11-30-33-23(28)22(32-24(21)33)13-7-14(26)9-15(27)8-13;1-7(2)12-11(16(23)24)6-20-22-14(19)13(21-15(12)22)8-3-9(17)5-10(18)4-8/h3-4,7-12,19H,5-6H2,1-2H3,(H,31,34);3-7H,1-2H3,(H,23,24)/t19-;/m0./s1.
What are the key properties of 3-chloro-2-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-chloro-2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid?
3-chloro-2-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-chloro-2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid has a molecular weight of 918.47 g/mol, XLogP of 12.05, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-chloro-2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid is sourced from PubChem (CID 163494639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).