2-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide;2,2,2-trifluoroacetic acid

C25H27F3N4O4 — CID 166261689

IUPAC2-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCc1cccn2cc(CC(=O)NC3CC4(CCNCC4)Oc4ccccc43)nc12.O=C(O)C(F)(F)F
InChIInChI=1S/C23H26N4O2.C2HF3O2/c1-16-5-4-12-27-15-17(25-22(16)27)13-21(28)26-19-14-23(8-10-24-11-9-23)29-20-7-3-2-6-18(19)20;3-2(4,5)1(6)7/h2-7,12,15,19,24H,8-11,13-14H2,1H3,(H,26,28);(H,6,7)
InChIKeyRYBBVPHXYRPOJW-UHFFFAOYSA-N
MW504.51 g/mol
LogP3.58
Rot. Bonds3

About 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide;2,2,2-trifluoroacetic acid

2-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 166261689) has the molecular formula C25H27F3N4O4 and a molecular weight of 504.51 g/mol. Its IUPAC name is 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide;2,2,2-trifluoroacetic acid
PubChem CID166261689
Molecular FormulaC25H27F3N4O4
Molecular Weight504.51 g/mol
Exact Mass504.20
IUPAC Name2-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCc1cccn2cc(CC(=O)NC3CC4(CCNCC4)Oc4ccccc43)nc12.O=C(O)C(F)(F)F
InChIInChI=1S/C23H26N4O2.C2HF3O2/c1-16-5-4-12-27-15-17(25-22(16)27)13-21(28)26-19-14-23(8-10-24-11-9-23)29-20-7-3-2-6-18(19)20;3-2(4,5)1(6)7/h2-7,12,15,19,24H,8-11,13-14H2,1H3,(H,26,28);(H,6,7)
InChIKeyRYBBVPHXYRPOJW-UHFFFAOYSA-N
XLogP3.58
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.51
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide;2,2,2-trifluoroacetic acid (CID 166261689) is 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide;2,2,2-trifluoroacetic acid is Cc1cccn2cc(CC(=O)NC3CC4(CCNCC4)Oc4ccccc43)nc12.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is RYBBVPHXYRPOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2.C2HF3O2/c1-16-5-4-12-27-15-17(25-22(16)27)13-21(28)26-19-14-23(8-10-24-11-9-23)29-20-7-3-2-6-18(19)20;3-2(4,5)1(6)7/h2-7,12,15,19,24H,8-11,13-14H2,1H3,(H,26,28);(H,6,7).
What are the key properties of 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide;2,2,2-trifluoroacetic acid?
2-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 504.51 g/mol, XLogP of 3.58, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166261689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).