1-[4-[7-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine

C29H24FN3 — CID 56644192

IUPAC1-[4-[7-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-c3nc4cc(-c5ccc(F)cc5)ccn4c3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C29H24FN3/c30-25-13-9-20(10-14-25)23-15-18-33-26(19-23)32-27(28(33)22-5-2-1-3-6-22)21-7-11-24(12-8-21)29(31)16-4-17-29/h1-3,5-15,18-19H,4,16-17,31H2
InChIKeyGTFSRNKPWDHODK-UHFFFAOYSA-N
MW433.53 g/mol
LogP6.81
Rot. Bonds4

About 1-[4-[7-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine

1-[4-[7-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine (PubChem CID 56644192) has the molecular formula C29H24FN3 and a molecular weight of 433.53 g/mol. Its IUPAC name is 1-[4-[7-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-[7-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
PubChem CID56644192
Molecular FormulaC29H24FN3
Molecular Weight433.53 g/mol
Exact Mass433.20
IUPAC Name1-[4-[7-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-c3nc4cc(-c5ccc(F)cc5)ccn4c3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C29H24FN3/c30-25-13-9-20(10-14-25)23-15-18-33-26(19-23)32-27(28(33)22-5-2-1-3-6-22)21-7-11-24(12-8-21)29(31)16-4-17-29/h1-3,5-15,18-19H,4,16-17,31H2
InChIKeyGTFSRNKPWDHODK-UHFFFAOYSA-N
XLogP6.81
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-[7-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine (CID 56644192) is 1-[4-[7-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-[7-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-[7-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine is NC1(c2ccc(-c3nc4cc(-c5ccc(F)cc5)ccn4c3-c3ccccc3)cc2)CCC1.
What is the InChIKey of 1-[4-[7-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine?
The InChIKey is GTFSRNKPWDHODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN3/c30-25-13-9-20(10-14-25)23-15-18-33-26(19-23)32-27(28(33)22-5-2-1-3-6-22)21-7-11-24(12-8-21)29(31)16-4-17-29/h1-3,5-15,18-19H,4,16-17,31H2.
What are the key properties of 1-[4-[7-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine?
1-[4-[7-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine has a molecular weight of 433.53 g/mol, XLogP of 6.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine is sourced from PubChem (CID 56644192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).