3-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide

C17H18FN5OS — CID 156845235

IUPAC3-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3sc(C4CCNCC4)cc3F)ncc2n1
InChIInChI=1S/C17H18FN5OS/c1-10-8-23-9-14(20-7-15(23)21-10)22-17(24)16-12(18)6-13(25-16)11-2-4-19-5-3-11/h6-9,11,19H,2-5H2,1H3,(H,22,24)
InChIKeyJWPMUSUUQQRORT-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.96
Rot. Bonds3

About 3-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide

3-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide (PubChem CID 156845235) has the molecular formula C17H18FN5OS and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
PubChem CID156845235
Molecular FormulaC17H18FN5OS
Molecular Weight359.43 g/mol
Exact Mass359.12
IUPAC Name3-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3sc(C4CCNCC4)cc3F)ncc2n1
InChIInChI=1S/C17H18FN5OS/c1-10-8-23-9-14(20-7-15(23)21-10)22-17(24)16-12(18)6-13(25-16)11-2-4-19-5-3-11/h6-9,11,19H,2-5H2,1H3,(H,22,24)
InChIKeyJWPMUSUUQQRORT-UHFFFAOYSA-N
XLogP2.96
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-5-[(2R,4R)-2-methylpiperidin-4-yl]thiophene-2-carboxamide
CID 168725238
3-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 156845290
3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 167500126
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-(2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 156845232
N-(2-methylimidazo[1,2-a]pyrazin-6-yl)pyrimidine-5-carboxamide
CID 175897424
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-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)butanamide;2-methyl-4-piperidin-4-yl-3-propylpyridine
CID 177040535
tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate
CID 168725199
2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyridine
CID 59627485
5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline
CID 142492349

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide?
The IUPAC name of 3-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide (CID 156845235) is 3-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide?
The canonical SMILES for 3-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide is Cc1cn2cc(NC(=O)c3sc(C4CCNCC4)cc3F)ncc2n1.
What is the InChIKey of 3-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide?
The InChIKey is JWPMUSUUQQRORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5OS/c1-10-8-23-9-14(20-7-15(23)21-10)22-17(24)16-12(18)6-13(25-16)11-2-4-19-5-3-11/h6-9,11,19H,2-5H2,1H3,(H,22,24).
What are the key properties of 3-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide?
3-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 156845235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).