4-[7-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C29H27FN6 — CID 24884689

IUPAC4-[7-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C4CCN(Cc5ccccc5)CC4)ccn23)n1
InChIInChI=1S/C29H27FN6/c30-24-8-6-22(7-9-24)27-28(25-10-14-32-29(31)33-25)36-17-13-23(18-26(36)34-27)21-11-15-35(16-12-21)19-20-4-2-1-3-5-20/h1-10,13-14,17-18,21H,11-12,15-16,19H2,(H2,31,32,33)
InChIKeyVQQWUCBUWJWSPM-UHFFFAOYSA-N
MW478.58 g/mol
LogP5.56
Rot. Bonds5

About 4-[7-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

4-[7-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 24884689) has the molecular formula C29H27FN6 and a molecular weight of 478.58 g/mol. Its IUPAC name is 4-[7-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID24884689
Molecular FormulaC29H27FN6
Molecular Weight478.58 g/mol
Exact Mass478.23
IUPAC Name4-[7-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C4CCN(Cc5ccccc5)CC4)ccn23)n1
InChIInChI=1S/C29H27FN6/c30-24-8-6-22(7-9-24)27-28(25-10-14-32-29(31)33-25)36-17-13-23(18-26(36)34-27)21-11-15-35(16-12-21)19-20-4-2-1-3-5-20/h1-10,13-14,17-18,21H,11-12,15-16,19H2,(H2,31,32,33)
InChIKeyVQQWUCBUWJWSPM-UHFFFAOYSA-N
XLogP5.56
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.58
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[7-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 24884689) is 4-[7-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[7-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[7-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C4CCN(Cc5ccccc5)CC4)ccn23)n1.
What is the InChIKey of 4-[7-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is VQQWUCBUWJWSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN6/c30-24-8-6-22(7-9-24)27-28(25-10-14-32-29(31)33-25)36-17-13-23(18-26(36)34-27)21-11-15-35(16-12-21)19-20-4-2-1-3-5-20/h1-10,13-14,17-18,21H,11-12,15-16,19H2,(H2,31,32,33).
What are the key properties of 4-[7-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
4-[7-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 478.58 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 24884689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).