3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide

C19H20F2N4OS — CID 167500126

IUPAC3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3sc(C4CCNC(C)C4)cc3F)cc(F)c2n1
InChIInChI=1S/C19H20F2N4OS/c1-10-5-12(3-4-22-10)16-7-14(20)17(27-16)19(26)24-13-6-15(21)18-23-11(2)8-25(18)9-13/h6-10,12,22H,3-5H2,1-2H3,(H,24,26)
InChIKeyZZMPWPJXBNLEMR-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.09
Rot. Bonds3

About 3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide

3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 167500126) has the molecular formula C19H20F2N4OS and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID167500126
Molecular FormulaC19H20F2N4OS
Molecular Weight390.46 g/mol
Exact Mass390.13
IUPAC Name3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3sc(C4CCNC(C)C4)cc3F)cc(F)c2n1
InChIInChI=1S/C19H20F2N4OS/c1-10-5-12(3-4-22-10)16-7-14(20)17(27-16)19(26)24-13-6-15(21)18-23-11(2)8-25(18)9-13/h6-10,12,22H,3-5H2,1-2H3,(H,24,26)
InChIKeyZZMPWPJXBNLEMR-UHFFFAOYSA-N
XLogP4.09
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide (CID 167500126) is 3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide is Cc1cn2cc(NC(=O)c3sc(C4CCNC(C)C4)cc3F)cc(F)c2n1.
What is the InChIKey of 3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is ZZMPWPJXBNLEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4OS/c1-10-5-12(3-4-22-10)16-7-14(20)17(27-16)19(26)24-13-6-15(21)18-23-11(2)8-25(18)9-13/h6-10,12,22H,3-5H2,1-2H3,(H,24,26).
What are the key properties of 3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide?
3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 167500126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).