N-(6-amino-2-fluoro-2-methylcyclohexyl)-5-ethyl-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide

C20H24FN5OS — CID 91481298

IUPACN-(6-amino-2-fluoro-2-methylcyclohexyl)-5-ethyl-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NC2C(N)CCCC2(C)F)cc1-c1cnc2cccnn12
InChIInChI=1S/C20H24FN5OS/c1-3-15-12(14-11-23-17-7-5-9-24-26(14)17)10-16(28-15)19(27)25-18-13(22)6-4-8-20(18,2)21/h5,7,9-11,13,18H,3-4,6,8,22H2,1-2H3,(H,25,27)
InChIKeyFVHUMDFKVGSHDK-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.36
Rot. Bonds4

About N-(6-amino-2-fluoro-2-methylcyclohexyl)-5-ethyl-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide

N-(6-amino-2-fluoro-2-methylcyclohexyl)-5-ethyl-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide (PubChem CID 91481298) has the molecular formula C20H24FN5OS and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(6-amino-2-fluoro-2-methylcyclohexyl)-5-ethyl-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2-fluoro-2-methylcyclohexyl)-5-ethyl-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide
PubChem CID91481298
Molecular FormulaC20H24FN5OS
Molecular Weight401.51 g/mol
Exact Mass401.17
IUPAC NameN-(6-amino-2-fluoro-2-methylcyclohexyl)-5-ethyl-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NC2C(N)CCCC2(C)F)cc1-c1cnc2cccnn12
InChIInChI=1S/C20H24FN5OS/c1-3-15-12(14-11-23-17-7-5-9-24-26(14)17)10-16(28-15)19(27)25-18-13(22)6-4-8-20(18,2)21/h5,7,9-11,13,18H,3-4,6,8,22H2,1-2H3,(H,25,27)
InChIKeyFVHUMDFKVGSHDK-UHFFFAOYSA-N
XLogP3.36
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-2,2-difluorocyclohexyl)-5-ethenyl-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide
CID 77187433
N-(6-amino-2,2-difluorocyclohexyl)-4-(6-ethoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-ethylthiophene-2-carboxamide
CID 53327968
N-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-yl-5-methylthiophene-2-carboxamide
CID 46842486
N-(6-amino-2,2-difluorocyclohexyl)-5-ethyl-4-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
CID 53327967
N-(6-amino-2,2-difluorocyclohexyl)-4-[6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethylthiophene-2-carboxamide
CID 53327972
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(difluoromethyl)-3-imidazo[1,2-b]pyridazin-3-ylcyclopenta-1,3-diene-1-carboxamide
CID 162561573
N-[(1S,2R)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide
CID 67123066
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-ethyl-4-(6-propan-2-yloxy-6,7-dihydropyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
CID 118066561
N-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide
CID 46842485
N-[(1R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-5-methylthiophene-2-carboxamide
CID 163802500
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide
CID 58386003
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide
CID 58046443

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-fluoro-2-methylcyclohexyl)-5-ethyl-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide?
The IUPAC name of N-(6-amino-2-fluoro-2-methylcyclohexyl)-5-ethyl-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide (CID 91481298) is N-(6-amino-2-fluoro-2-methylcyclohexyl)-5-ethyl-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-2-fluoro-2-methylcyclohexyl)-5-ethyl-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-2-fluoro-2-methylcyclohexyl)-5-ethyl-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide is CCc1sc(C(=O)NC2C(N)CCCC2(C)F)cc1-c1cnc2cccnn12.
What is the InChIKey of N-(6-amino-2-fluoro-2-methylcyclohexyl)-5-ethyl-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide?
The InChIKey is FVHUMDFKVGSHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5OS/c1-3-15-12(14-11-23-17-7-5-9-24-26(14)17)10-16(28-15)19(27)25-18-13(22)6-4-8-20(18,2)21/h5,7,9-11,13,18H,3-4,6,8,22H2,1-2H3,(H,25,27).
What are the key properties of N-(6-amino-2-fluoro-2-methylcyclohexyl)-5-ethyl-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide?
N-(6-amino-2-fluoro-2-methylcyclohexyl)-5-ethyl-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-fluoro-2-methylcyclohexyl)-5-ethyl-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 91481298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).