N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;sulfane

C24H32N4O2S — CID 163923064

IUPACN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;sulfane
SMILESCc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1CC(C)C.S
InChIInChI=1S/C24H30N4O2.H2S/c1-14(2)12-20-16(5)26-23-22(15(3)4)18(13-25-28(20)23)24(29)27-19-10-11-30-21-9-7-6-8-17(19)21;/h6-9,13-15,19H,10-12H2,1-5H3,(H,27,29);1H2/t19-;/m0./s1
InChIKeyRCCJXGWXLCSJFE-FYZYNONXSA-N
MW440.61 g/mol
LogP4.73
Rot. Bonds5

About N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;sulfane

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;sulfane (PubChem CID 163923064) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;sulfane.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;sulfane
PubChem CID163923064
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;sulfane
SMILESCc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1CC(C)C.S
InChIInChI=1S/C24H30N4O2.H2S/c1-14(2)12-20-16(5)26-23-22(15(3)4)18(13-25-28(20)23)24(29)27-19-10-11-30-21-9-7-6-8-17(19)21;/h6-9,13-15,19H,10-12H2,1-5H3,(H,27,29);1H2/t19-;/m0./s1
InChIKeyRCCJXGWXLCSJFE-FYZYNONXSA-N
XLogP4.73
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124614790
7-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 171601083
1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide
CID 78872570
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4,5-dimethyl-3-propan-2-ylfuran-2-carboxamide
CID 155135559
3-(2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 153392892
8-tert-butyl-2-chloro-3-(2,5-dichloro-4-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide
CID 171439797
N-(3,4-dihydro-2H-chromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16623060
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide
CID 134502145
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 119042913
N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124614344
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
N-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18142811

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;sulfane?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;sulfane (CID 163923064) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;sulfane.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;sulfane?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;sulfane is Cc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1CC(C)C.S.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;sulfane?
The InChIKey is RCCJXGWXLCSJFE-FYZYNONXSA-N. The full InChI is InChI=1S/C24H30N4O2.H2S/c1-14(2)12-20-16(5)26-23-22(15(3)4)18(13-25-28(20)23)24(29)27-19-10-11-30-21-9-7-6-8-17(19)21;/h6-9,13-15,19H,10-12H2,1-5H3,(H,27,29);1H2/t19-;/m0./s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;sulfane?
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;sulfane has a molecular weight of 440.61 g/mol, XLogP of 4.73, 5 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-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;sulfane is sourced from PubChem (CID 163923064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).