N-[2-(4-fluoropiperidine-1-carbonyl)imidazo[1,2-a]pyridin-5-yl]-2-(5-tricyclo[3.3.1.01,3]non-7-enyl)acetamide

C24H27FN4O2 — CID 70862464

IUPACN-[2-(4-fluoropiperidine-1-carbonyl)imidazo[1,2-a]pyridin-5-yl]-2-(5-tricyclo[3.3.1.01,3]non-7-enyl)acetamide
SMILESO=C(CC12CC=CC3(CC3C1)C2)Nc1cccc2nc(C(=O)N3CCC(F)CC3)cn12
InChIInChI=1S/C24H27FN4O2/c25-17-5-9-28(10-6-17)22(31)18-14-29-19(26-18)3-1-4-20(29)27-21(30)13-23-7-2-8-24(15-23)12-16(24)11-23/h1-4,8,14,16-17H,5-7,9-13,15H2,(H,27,30)
InChIKeyZXKRAJLAJXQYRS-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.98
Rot. Bonds4

About N-[2-(4-fluoropiperidine-1-carbonyl)imidazo[1,2-a]pyridin-5-yl]-2-(5-tricyclo[3.3.1.01,3]non-7-enyl)acetamide

N-[2-(4-fluoropiperidine-1-carbonyl)imidazo[1,2-a]pyridin-5-yl]-2-(5-tricyclo[3.3.1.01,3]non-7-enyl)acetamide (PubChem CID 70862464) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[2-(4-fluoropiperidine-1-carbonyl)imidazo[1,2-a]pyridin-5-yl]-2-(5-tricyclo[3.3.1.01,3]non-7-enyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluoropiperidine-1-carbonyl)imidazo[1,2-a]pyridin-5-yl]-2-(5-tricyclo[3.3.1.01,3]non-7-enyl)acetamide
PubChem CID70862464
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC NameN-[2-(4-fluoropiperidine-1-carbonyl)imidazo[1,2-a]pyridin-5-yl]-2-(5-tricyclo[3.3.1.01,3]non-7-enyl)acetamide
SMILESO=C(CC12CC=CC3(CC3C1)C2)Nc1cccc2nc(C(=O)N3CCC(F)CC3)cn12
InChIInChI=1S/C24H27FN4O2/c25-17-5-9-28(10-6-17)22(31)18-14-29-19(26-18)3-1-4-20(29)27-21(30)13-23-7-2-8-24(15-23)12-16(24)11-23/h1-4,8,14,16-17H,5-7,9-13,15H2,(H,27,30)
InChIKeyZXKRAJLAJXQYRS-UHFFFAOYSA-N
XLogP3.98
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.98
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 N-[2-(4-fluoropiperidine-1-carbonyl)imidazo[1,2-a]pyridin-5-yl]-2-(5-tricyclo[3.3.1.01,3]non-7-enyl)acetamide?
The IUPAC name of N-[2-(4-fluoropiperidine-1-carbonyl)imidazo[1,2-a]pyridin-5-yl]-2-(5-tricyclo[3.3.1.01,3]non-7-enyl)acetamide (CID 70862464) is N-[2-(4-fluoropiperidine-1-carbonyl)imidazo[1,2-a]pyridin-5-yl]-2-(5-tricyclo[3.3.1.01,3]non-7-enyl)acetamide.
What is the SMILES notation for N-[2-(4-fluoropiperidine-1-carbonyl)imidazo[1,2-a]pyridin-5-yl]-2-(5-tricyclo[3.3.1.01,3]non-7-enyl)acetamide?
The canonical SMILES for N-[2-(4-fluoropiperidine-1-carbonyl)imidazo[1,2-a]pyridin-5-yl]-2-(5-tricyclo[3.3.1.01,3]non-7-enyl)acetamide is O=C(CC12CC=CC3(CC3C1)C2)Nc1cccc2nc(C(=O)N3CCC(F)CC3)cn12.
What is the InChIKey of N-[2-(4-fluoropiperidine-1-carbonyl)imidazo[1,2-a]pyridin-5-yl]-2-(5-tricyclo[3.3.1.01,3]non-7-enyl)acetamide?
The InChIKey is ZXKRAJLAJXQYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c25-17-5-9-28(10-6-17)22(31)18-14-29-19(26-18)3-1-4-20(29)27-21(30)13-23-7-2-8-24(15-23)12-16(24)11-23/h1-4,8,14,16-17H,5-7,9-13,15H2,(H,27,30).
What are the key properties of N-[2-(4-fluoropiperidine-1-carbonyl)imidazo[1,2-a]pyridin-5-yl]-2-(5-tricyclo[3.3.1.01,3]non-7-enyl)acetamide?
N-[2-(4-fluoropiperidine-1-carbonyl)imidazo[1,2-a]pyridin-5-yl]-2-(5-tricyclo[3.3.1.01,3]non-7-enyl)acetamide has a molecular weight of 422.50 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoropiperidine-1-carbonyl)imidazo[1,2-a]pyridin-5-yl]-2-(5-tricyclo[3.3.1.01,3]non-7-enyl)acetamide is sourced from PubChem (CID 70862464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).