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

C28H33FN6 — CID 24884688

IUPAC4-[2-(4-fluorophenyl)-7-[1-(2-methylpentyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCCCC(C)CN1CCC(c2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1
InChIInChI=1S/C28H33FN6/c1-3-4-19(2)18-34-14-10-20(11-15-34)22-12-16-35-25(17-22)33-26(21-5-7-23(29)8-6-21)27(35)24-9-13-31-28(30)32-24/h5-9,12-13,16-17,19-20H,3-4,10-11,14-15,18H2,1-2H3,(H2,30,31,32)
InChIKeyZDHQEFNXUHINSC-UHFFFAOYSA-N
MW472.61 g/mol
LogP5.80
Rot. Bonds7

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

4-[2-(4-fluorophenyl)-7-[1-(2-methylpentyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 24884688) has the molecular formula C28H33FN6 and a molecular weight of 472.61 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-7-[1-(2-methylpentyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-7-[1-(2-methylpentyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID24884688
Molecular FormulaC28H33FN6
Molecular Weight472.61 g/mol
Exact Mass472.28
IUPAC Name4-[2-(4-fluorophenyl)-7-[1-(2-methylpentyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCCCC(C)CN1CCC(c2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1
InChIInChI=1S/C28H33FN6/c1-3-4-19(2)18-34-14-10-20(11-15-34)22-12-16-35-25(17-22)33-26(21-5-7-23(29)8-6-21)27(35)24-9-13-31-28(30)32-24/h5-9,12-13,16-17,19-20H,3-4,10-11,14-15,18H2,1-2H3,(H2,30,31,32)
InChIKeyZDHQEFNXUHINSC-UHFFFAOYSA-N
XLogP5.80
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.61
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-7-[1-(2-methylpentyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-7-[1-(2-methylpentyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 24884688) is 4-[2-(4-fluorophenyl)-7-[1-(2-methylpentyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-7-[1-(2-methylpentyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-7-[1-(2-methylpentyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CCCC(C)CN1CCC(c2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-7-[1-(2-methylpentyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is ZDHQEFNXUHINSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN6/c1-3-4-19(2)18-34-14-10-20(11-15-34)22-12-16-35-25(17-22)33-26(21-5-7-23(29)8-6-21)27(35)24-9-13-31-28(30)32-24/h5-9,12-13,16-17,19-20H,3-4,10-11,14-15,18H2,1-2H3,(H2,30,31,32).
What are the key properties of 4-[2-(4-fluorophenyl)-7-[1-(2-methylpentyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
4-[2-(4-fluorophenyl)-7-[1-(2-methylpentyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 472.61 g/mol, XLogP of 5.80, 7 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-(2-methylpentyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 24884688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).