5-[6-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide

C26H25F3N4O3S — CID 67436136

IUPAC5-[6-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-c2cnc3ccc(OCC4CCNCC4)cn23)cc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C26H25F3N4O3S/c27-26(28,29)19-4-2-1-3-17(19)15-36-21-11-22(37-24(21)25(30)34)20-12-32-23-6-5-18(13-33(20)23)35-14-16-7-9-31-10-8-16/h1-6,11-13,16,31H,7-10,14-15H2,(H2,30,34)
InChIKeyPIDVPTHQSMQAIE-UHFFFAOYSA-N
MW530.57 g/mol
LogP5.14
Rot. Bonds8

About 5-[6-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide

5-[6-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide (PubChem CID 67436136) has the molecular formula C26H25F3N4O3S and a molecular weight of 530.57 g/mol. Its IUPAC name is 5-[6-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[6-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
PubChem CID67436136
Molecular FormulaC26H25F3N4O3S
Molecular Weight530.57 g/mol
Exact Mass530.16
IUPAC Name5-[6-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-c2cnc3ccc(OCC4CCNCC4)cn23)cc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C26H25F3N4O3S/c27-26(28,29)19-4-2-1-3-17(19)15-36-21-11-22(37-24(21)25(30)34)20-12-32-23-6-5-18(13-33(20)23)35-14-16-7-9-31-10-8-16/h1-6,11-13,16,31H,7-10,14-15H2,(H2,30,34)
InChIKeyPIDVPTHQSMQAIE-UHFFFAOYSA-N
XLogP5.14
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.57
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The IUPAC name of 5-[6-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide (CID 67436136) is 5-[6-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-[6-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-[6-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide is NC(=O)c1sc(-c2cnc3ccc(OCC4CCNCC4)cn23)cc1OCc1ccccc1C(F)(F)F.
What is the InChIKey of 5-[6-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The InChIKey is PIDVPTHQSMQAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O3S/c27-26(28,29)19-4-2-1-3-17(19)15-36-21-11-22(37-24(21)25(30)34)20-12-32-23-6-5-18(13-33(20)23)35-14-16-7-9-31-10-8-16/h1-6,11-13,16,31H,7-10,14-15H2,(H2,30,34).
What are the key properties of 5-[6-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
5-[6-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide has a molecular weight of 530.57 g/mol, XLogP of 5.14, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(piperidin-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide is sourced from PubChem (CID 67436136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).