2-(5-tricyclo[3.3.1.01,3]non-7-enyl)-N-[2-[3-(trifluoromethyl)piperidine-1-carbonyl]imidazo[1,2-a]pyridin-5-yl]acetamide

C25H27F3N4O2 — CID 70862591

IUPAC2-(5-tricyclo[3.3.1.01,3]non-7-enyl)-N-[2-[3-(trifluoromethyl)piperidine-1-carbonyl]imidazo[1,2-a]pyridin-5-yl]acetamide
SMILESO=C(CC12CC=CC3(CC3C1)C2)Nc1cccc2nc(C(=O)N3CCCC(C(F)(F)F)C3)cn12
InChIInChI=1S/C25H27F3N4O2/c26-25(27,28)16-4-2-9-31(13-16)22(34)18-14-32-19(29-18)5-1-6-20(32)30-21(33)12-23-7-3-8-24(15-23)11-17(24)10-23/h1,3,5-6,8,14,16-17H,2,4,7,9-13,15H2,(H,30,33)
InChIKeyJRPYNWCPDPHPBR-UHFFFAOYSA-N
MW472.51 g/mol
LogP4.82
Rot. Bonds4

About 2-(5-tricyclo[3.3.1.01,3]non-7-enyl)-N-[2-[3-(trifluoromethyl)piperidine-1-carbonyl]imidazo[1,2-a]pyridin-5-yl]acetamide

2-(5-tricyclo[3.3.1.01,3]non-7-enyl)-N-[2-[3-(trifluoromethyl)piperidine-1-carbonyl]imidazo[1,2-a]pyridin-5-yl]acetamide (PubChem CID 70862591) has the molecular formula C25H27F3N4O2 and a molecular weight of 472.51 g/mol. Its IUPAC name is 2-(5-tricyclo[3.3.1.01,3]non-7-enyl)-N-[2-[3-(trifluoromethyl)piperidine-1-carbonyl]imidazo[1,2-a]pyridin-5-yl]acetamide.

Molecular Properties

Compound Name2-(5-tricyclo[3.3.1.01,3]non-7-enyl)-N-[2-[3-(trifluoromethyl)piperidine-1-carbonyl]imidazo[1,2-a]pyridin-5-yl]acetamide
PubChem CID70862591
Molecular FormulaC25H27F3N4O2
Molecular Weight472.51 g/mol
Exact Mass472.21
IUPAC Name2-(5-tricyclo[3.3.1.01,3]non-7-enyl)-N-[2-[3-(trifluoromethyl)piperidine-1-carbonyl]imidazo[1,2-a]pyridin-5-yl]acetamide
SMILESO=C(CC12CC=CC3(CC3C1)C2)Nc1cccc2nc(C(=O)N3CCCC(C(F)(F)F)C3)cn12
InChIInChI=1S/C25H27F3N4O2/c26-25(27,28)16-4-2-9-31(13-16)22(34)18-14-32-19(29-18)5-1-6-20(32)30-21(33)12-23-7-3-8-24(15-23)11-17(24)10-23/h1,3,5-6,8,14,16-17H,2,4,7,9-13,15H2,(H,30,33)
InChIKeyJRPYNWCPDPHPBR-UHFFFAOYSA-N
XLogP4.82
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tricyclo[3.3.1.01,3]non-7-enyl)-N-[2-[3-(trifluoromethyl)piperidine-1-carbonyl]imidazo[1,2-a]pyridin-5-yl]acetamide?
The IUPAC name of 2-(5-tricyclo[3.3.1.01,3]non-7-enyl)-N-[2-[3-(trifluoromethyl)piperidine-1-carbonyl]imidazo[1,2-a]pyridin-5-yl]acetamide (CID 70862591) is 2-(5-tricyclo[3.3.1.01,3]non-7-enyl)-N-[2-[3-(trifluoromethyl)piperidine-1-carbonyl]imidazo[1,2-a]pyridin-5-yl]acetamide.
What is the SMILES notation for 2-(5-tricyclo[3.3.1.01,3]non-7-enyl)-N-[2-[3-(trifluoromethyl)piperidine-1-carbonyl]imidazo[1,2-a]pyridin-5-yl]acetamide?
The canonical SMILES for 2-(5-tricyclo[3.3.1.01,3]non-7-enyl)-N-[2-[3-(trifluoromethyl)piperidine-1-carbonyl]imidazo[1,2-a]pyridin-5-yl]acetamide is O=C(CC12CC=CC3(CC3C1)C2)Nc1cccc2nc(C(=O)N3CCCC(C(F)(F)F)C3)cn12.
What is the InChIKey of 2-(5-tricyclo[3.3.1.01,3]non-7-enyl)-N-[2-[3-(trifluoromethyl)piperidine-1-carbonyl]imidazo[1,2-a]pyridin-5-yl]acetamide?
The InChIKey is JRPYNWCPDPHPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O2/c26-25(27,28)16-4-2-9-31(13-16)22(34)18-14-32-19(29-18)5-1-6-20(32)30-21(33)12-23-7-3-8-24(15-23)11-17(24)10-23/h1,3,5-6,8,14,16-17H,2,4,7,9-13,15H2,(H,30,33).
What are the key properties of 2-(5-tricyclo[3.3.1.01,3]non-7-enyl)-N-[2-[3-(trifluoromethyl)piperidine-1-carbonyl]imidazo[1,2-a]pyridin-5-yl]acetamide?
2-(5-tricyclo[3.3.1.01,3]non-7-enyl)-N-[2-[3-(trifluoromethyl)piperidine-1-carbonyl]imidazo[1,2-a]pyridin-5-yl]acetamide has a molecular weight of 472.51 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tricyclo[3.3.1.01,3]non-7-enyl)-N-[2-[3-(trifluoromethyl)piperidine-1-carbonyl]imidazo[1,2-a]pyridin-5-yl]acetamide is sourced from PubChem (CID 70862591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).