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

C28H33FN6 — CID 24887645

IUPAC4-[2-(4-fluorophenyl)-7-(1-hexylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCCCCCCN1CCC(c2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1
InChIInChI=1S/C28H33FN6/c1-2-3-4-5-15-34-16-11-20(12-17-34)22-13-18-35-25(19-22)33-26(21-6-8-23(29)9-7-21)27(35)24-10-14-31-28(30)32-24/h6-10,13-14,18-20H,2-5,11-12,15-17H2,1H3,(H2,30,31,32)
InChIKeyPLHOVKDRPXOFDW-UHFFFAOYSA-N
MW472.61 g/mol
LogP5.94
Rot. Bonds8

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

4-[2-(4-fluorophenyl)-7-(1-hexylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 24887645) has the molecular formula C28H33FN6 and a molecular weight of 472.61 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-7-(1-hexylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-7-(1-hexylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID24887645
Molecular FormulaC28H33FN6
Molecular Weight472.61 g/mol
Exact Mass472.28
IUPAC Name4-[2-(4-fluorophenyl)-7-(1-hexylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCCCCCCN1CCC(c2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1
InChIInChI=1S/C28H33FN6/c1-2-3-4-5-15-34-16-11-20(12-17-34)22-13-18-35-25(19-22)33-26(21-6-8-23(29)9-7-21)27(35)24-10-14-31-28(30)32-24/h6-10,13-14,18-20H,2-5,11-12,15-17H2,1H3,(H2,30,31,32)
InChIKeyPLHOVKDRPXOFDW-UHFFFAOYSA-N
XLogP5.94
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.61
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[2-(4-fluorophenyl)-7-(1-hexylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-7-(1-hexylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-7-(1-hexylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 24887645) is 4-[2-(4-fluorophenyl)-7-(1-hexylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-7-(1-hexylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-7-(1-hexylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CCCCCCN1CCC(c2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-7-(1-hexylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is PLHOVKDRPXOFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN6/c1-2-3-4-5-15-34-16-11-20(12-17-34)22-13-18-35-25(19-22)33-26(21-6-8-23(29)9-7-21)27(35)24-10-14-31-28(30)32-24/h6-10,13-14,18-20H,2-5,11-12,15-17H2,1H3,(H2,30,31,32).
What are the key properties of 4-[2-(4-fluorophenyl)-7-(1-hexylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
4-[2-(4-fluorophenyl)-7-(1-hexylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 472.61 g/mol, XLogP of 5.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-7-(1-hexylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 24887645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).