4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-pyridin-2-ylcyclohexane-1,4-diamine

C28H26FN7 — CID 142408363

IUPAC4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-pyridin-2-ylcyclohexane-1,4-diamine
SMILESFc1cnc(NC2CCC(Nc3ccccn3)CC2)nc1-c1cnc2ccc(-c3ccccc3)cn12
InChIInChI=1S/C28H26FN7/c29-23-16-32-28(34-22-12-10-21(11-13-22)33-25-8-4-5-15-30-25)35-27(23)24-17-31-26-14-9-20(18-36(24)26)19-6-2-1-3-7-19/h1-9,14-18,21-22H,10-13H2,(H,30,33)(H,32,34,35)
InChIKeyBZSWFJFTRAEMOL-UHFFFAOYSA-N
MW479.56 g/mol
LogP5.83
Rot. Bonds6

About 4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-pyridin-2-ylcyclohexane-1,4-diamine

4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-pyridin-2-ylcyclohexane-1,4-diamine (PubChem CID 142408363) has the molecular formula C28H26FN7 and a molecular weight of 479.56 g/mol. Its IUPAC name is 4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-pyridin-2-ylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-pyridin-2-ylcyclohexane-1,4-diamine
PubChem CID142408363
Molecular FormulaC28H26FN7
Molecular Weight479.56 g/mol
Exact Mass479.22
IUPAC Name4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-pyridin-2-ylcyclohexane-1,4-diamine
SMILESFc1cnc(NC2CCC(Nc3ccccn3)CC2)nc1-c1cnc2ccc(-c3ccccc3)cn12
InChIInChI=1S/C28H26FN7/c29-23-16-32-28(34-22-12-10-21(11-13-22)33-25-8-4-5-15-30-25)35-27(23)24-17-31-26-14-9-20(18-36(24)26)19-6-2-1-3-7-19/h1-9,14-18,21-22H,10-13H2,(H,30,33)(H,32,34,35)
InChIKeyBZSWFJFTRAEMOL-UHFFFAOYSA-N
XLogP5.83
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.56
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-pyridin-2-ylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-pyridin-2-ylcyclohexane-1,4-diamine (CID 142408363) is 4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-pyridin-2-ylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-pyridin-2-ylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-pyridin-2-ylcyclohexane-1,4-diamine is Fc1cnc(NC2CCC(Nc3ccccn3)CC2)nc1-c1cnc2ccc(-c3ccccc3)cn12.
What is the InChIKey of 4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-pyridin-2-ylcyclohexane-1,4-diamine?
The InChIKey is BZSWFJFTRAEMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN7/c29-23-16-32-28(34-22-12-10-21(11-13-22)33-25-8-4-5-15-30-25)35-27(23)24-17-31-26-14-9-20(18-36(24)26)19-6-2-1-3-7-19/h1-9,14-18,21-22H,10-13H2,(H,30,33)(H,32,34,35).
What are the key properties of 4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-pyridin-2-ylcyclohexane-1,4-diamine?
4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-pyridin-2-ylcyclohexane-1,4-diamine has a molecular weight of 479.56 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-pyridin-2-ylcyclohexane-1,4-diamine is sourced from PubChem (CID 142408363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).