N-[(1S)-1-(3-fluorophenyl)ethyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide

C20H17FN4OS — CID 58046443

IUPACN-[(1S)-1-(3-fluorophenyl)ethyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)N[C@@H](C)c2cccc(F)c2)cc1-c1cnc2cccnn12
InChIInChI=1S/C20H17FN4OS/c1-12(14-5-3-6-15(21)9-14)24-20(26)18-10-16(13(2)27-18)17-11-22-19-7-4-8-23-25(17)19/h3-12H,1-2H3,(H,24,26)/t12-/m0/s1
InChIKeySYXIHNXOFOEVEK-LBPRGKRZSA-N
MW380.45 g/mol
LogP4.40
Rot. Bonds4

About N-[(1S)-1-(3-fluorophenyl)ethyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide

N-[(1S)-1-(3-fluorophenyl)ethyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide (PubChem CID 58046443) has the molecular formula C20H17FN4OS and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)ethyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)ethyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide
PubChem CID58046443
Molecular FormulaC20H17FN4OS
Molecular Weight380.45 g/mol
Exact Mass380.11
IUPAC NameN-[(1S)-1-(3-fluorophenyl)ethyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)N[C@@H](C)c2cccc(F)c2)cc1-c1cnc2cccnn12
InChIInChI=1S/C20H17FN4OS/c1-12(14-5-3-6-15(21)9-14)24-20(26)18-10-16(13(2)27-18)17-11-22-19-7-4-8-23-25(17)19/h3-12H,1-2H3,(H,24,26)/t12-/m0/s1
InChIKeySYXIHNXOFOEVEK-LBPRGKRZSA-N
XLogP4.40
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(3-fluorophenyl)ethyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide with MolForge

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Related Compounds

4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[[(1S)-1-phenylethyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]-5-methyl-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 101440815
5-amino-N-[1-(3-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 81317430
5-N-[1-[3-(3-fluorophenyl)phenyl]ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide
CID 11689522
5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 107236590
2-bromo-N-[1-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 113255496
4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66123418
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62247886
2-fluoro-5-[6-[1-(3-fluorophenyl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 130348419
2-amino-3,3,3-trifluoro-N-[1-(3-fluorophenyl)ethyl]-2-methylpropanamide
CID 79805972
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide (CID 58046443) is N-[(1S)-1-(3-fluorophenyl)ethyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)ethyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)ethyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)N[C@@H](C)c2cccc(F)c2)cc1-c1cnc2cccnn12.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)ethyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide?
The InChIKey is SYXIHNXOFOEVEK-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H17FN4OS/c1-12(14-5-3-6-15(21)9-14)24-20(26)18-10-16(13(2)27-18)17-11-22-19-7-4-8-23-25(17)19/h3-12H,1-2H3,(H,24,26)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)ethyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide?
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluorophenyl)ethyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 58046443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).