3-[2-(4-fluorophenyl)-4-pyridinyl]-7-[3-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine

C32H31FN4O — CID 25261102

IUPAC3-[2-(4-fluorophenyl)-4-pyridinyl]-7-[3-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2cc(-c3cnc4cc(-c5cccc(OCCCN6CCCCC6)c5)ccn34)ccn2)cc1
InChIInChI=1S/C32H31FN4O/c33-28-10-8-24(9-11-28)30-21-27(12-14-34-30)31-23-35-32-22-26(13-18-37(31)32)25-6-4-7-29(20-25)38-19-5-17-36-15-2-1-3-16-36/h4,6-14,18,20-23H,1-3,5,15-17,19H2
InChIKeyKYAILCUUOVDDJA-UHFFFAOYSA-N
MW506.63 g/mol
LogP7.12
Rot. Bonds8

About 3-[2-(4-fluorophenyl)-4-pyridinyl]-7-[3-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine

3-[2-(4-fluorophenyl)-4-pyridinyl]-7-[3-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine (PubChem CID 25261102) has the molecular formula C32H31FN4O and a molecular weight of 506.63 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-4-pyridinyl]-7-[3-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-4-pyridinyl]-7-[3-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine
PubChem CID25261102
Molecular FormulaC32H31FN4O
Molecular Weight506.63 g/mol
Exact Mass506.25
IUPAC Name3-[2-(4-fluorophenyl)-4-pyridinyl]-7-[3-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2cc(-c3cnc4cc(-c5cccc(OCCCN6CCCCC6)c5)ccn34)ccn2)cc1
InChIInChI=1S/C32H31FN4O/c33-28-10-8-24(9-11-28)30-21-27(12-14-34-30)31-23-35-32-22-26(13-18-37(31)32)25-6-4-7-29(20-25)38-19-5-17-36-15-2-1-3-16-36/h4,6-14,18,20-23H,1-3,5,15-17,19H2
InChIKeyKYAILCUUOVDDJA-UHFFFAOYSA-N
XLogP7.12
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.63
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
Benzimidazole deriv. 5
CID 5329405
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336092
4-[2-Methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336101
2-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-5,6,7,8-tetrahydro-imidazo[1,2-a]pyridine
CID 9840856
6-Amino-2-(4-fluorophenyl)-4-benzyloxy-3-(4-pyridyl)-1h-pyrrolo[2,3-b]pyridine
CID 10386848
(4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]phenyl)imidazo[1,2-a]pyridine
CID 10479214

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-4-pyridinyl]-7-[3-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-[2-(4-fluorophenyl)-4-pyridinyl]-7-[3-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine (CID 25261102) is 3-[2-(4-fluorophenyl)-4-pyridinyl]-7-[3-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-4-pyridinyl]-7-[3-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[2-(4-fluorophenyl)-4-pyridinyl]-7-[3-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine is Fc1ccc(-c2cc(-c3cnc4cc(-c5cccc(OCCCN6CCCCC6)c5)ccn34)ccn2)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-4-pyridinyl]-7-[3-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is KYAILCUUOVDDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN4O/c33-28-10-8-24(9-11-28)30-21-27(12-14-34-30)31-23-35-32-22-26(13-18-37(31)32)25-6-4-7-29(20-25)38-19-5-17-36-15-2-1-3-16-36/h4,6-14,18,20-23H,1-3,5,15-17,19H2.
What are the key properties of 3-[2-(4-fluorophenyl)-4-pyridinyl]-7-[3-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine?
3-[2-(4-fluorophenyl)-4-pyridinyl]-7-[3-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 506.63 g/mol, XLogP of 7.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-4-pyridinyl]-7-[3-(3-piperidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 25261102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).