N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-5-[(2R,4R)-2-methylpiperidin-4-yl]thiophene-2-carboxamide

C19H22FN5OS — CID 168725238

IUPACN-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-5-[(2R,4R)-2-methylpiperidin-4-yl]thiophene-2-carboxamide
SMILESCc1cn2nc(NC(=O)c3sc([C@@H]4CCN[C@H](C)C4)cc3F)cc(C)c2n1
InChIInChI=1S/C19H22FN5OS/c1-10-6-16(24-25-9-12(3)22-18(10)25)23-19(26)17-14(20)8-15(27-17)13-4-5-21-11(2)7-13/h6,8-9,11,13,21H,4-5,7H2,1-3H3,(H,23,24,26)/t11-,13-/m1/s1
InChIKeyAGQMINBUSQAPFG-DGCLKSJQSA-N
MW387.48 g/mol
LogP3.65
Rot. Bonds3

About N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-5-[(2R,4R)-2-methylpiperidin-4-yl]thiophene-2-carboxamide

N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-5-[(2R,4R)-2-methylpiperidin-4-yl]thiophene-2-carboxamide (PubChem CID 168725238) has the molecular formula C19H22FN5OS and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-5-[(2R,4R)-2-methylpiperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-5-[(2R,4R)-2-methylpiperidin-4-yl]thiophene-2-carboxamide
PubChem CID168725238
Molecular FormulaC19H22FN5OS
Molecular Weight387.48 g/mol
Exact Mass387.15
IUPAC NameN-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-5-[(2R,4R)-2-methylpiperidin-4-yl]thiophene-2-carboxamide
SMILESCc1cn2nc(NC(=O)c3sc([C@@H]4CCN[C@H](C)C4)cc3F)cc(C)c2n1
InChIInChI=1S/C19H22FN5OS/c1-10-6-16(24-25-9-12(3)22-18(10)25)23-19(26)17-14(20)8-15(27-17)13-4-5-21-11(2)7-13/h6,8-9,11,13,21H,4-5,7H2,1-3H3,(H,23,24,26)/t11-,13-/m1/s1
InChIKeyAGQMINBUSQAPFG-DGCLKSJQSA-N
XLogP3.65
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 156845224
3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 167500126
3-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 156845235
N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperidin-4-ylcinnoline-8-carboxamide
CID 163417083
3-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 156845290
3-fluoro-N-(2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 156845232
tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate
CID 168725199
3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 156845099
3-fluoro-N-(4-fluoro-2-methyl-3a,7a-dihydro-1,3-benzothiazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 156845136
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)cinnoline-8-carboxamide
CID 167500546
N,2,8-trimethylimidazo[1,2-b]pyridazin-6-amine
CID 177202448
6-(8-fluoro-2-pyrrolidin-3-ylimidazo[1,2-a]pyridin-6-yl)-2,8-dimethylimidazo[1,2-b]pyridazine
CID 170593872

Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-5-[(2R,4R)-2-methylpiperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-5-[(2R,4R)-2-methylpiperidin-4-yl]thiophene-2-carboxamide (CID 168725238) is N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-5-[(2R,4R)-2-methylpiperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-5-[(2R,4R)-2-methylpiperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-5-[(2R,4R)-2-methylpiperidin-4-yl]thiophene-2-carboxamide is Cc1cn2nc(NC(=O)c3sc([C@@H]4CCN[C@H](C)C4)cc3F)cc(C)c2n1.
What is the InChIKey of N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-5-[(2R,4R)-2-methylpiperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is AGQMINBUSQAPFG-DGCLKSJQSA-N. The full InChI is InChI=1S/C19H22FN5OS/c1-10-6-16(24-25-9-12(3)22-18(10)25)23-19(26)17-14(20)8-15(27-17)13-4-5-21-11(2)7-13/h6,8-9,11,13,21H,4-5,7H2,1-3H3,(H,23,24,26)/t11-,13-/m1/s1.
What are the key properties of N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-5-[(2R,4R)-2-methylpiperidin-4-yl]thiophene-2-carboxamide?
N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-5-[(2R,4R)-2-methylpiperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-5-[(2R,4R)-2-methylpiperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 168725238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).