3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine

C27H30FN5 — CID 11201597

IUPAC3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine
SMILESCN1CCC(c2ccn3c(-c4ccnc(C(C)(C)C)n4)c(-c4ccc(F)cc4)nc3c2)CC1
InChIInChI=1S/C27H30FN5/c1-27(2,3)26-29-13-9-22(30-26)25-24(19-5-7-21(28)8-6-19)31-23-17-20(12-16-33(23)25)18-10-14-32(4)15-11-18/h5-9,12-13,16-18H,10-11,14-15H2,1-4H3
InChIKeyGAUOHOYZLWYWIA-UHFFFAOYSA-N
MW443.57 g/mol
LogP5.70
Rot. Bonds3

About 3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine

3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine (PubChem CID 11201597) has the molecular formula C27H30FN5 and a molecular weight of 443.57 g/mol. Its IUPAC name is 3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine
PubChem CID11201597
Molecular FormulaC27H30FN5
Molecular Weight443.57 g/mol
Exact Mass443.25
IUPAC Name3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine
SMILESCN1CCC(c2ccn3c(-c4ccnc(C(C)(C)C)n4)c(-c4ccc(F)cc4)nc3c2)CC1
InChIInChI=1S/C27H30FN5/c1-27(2,3)26-29-13-9-22(30-26)25-24(19-5-7-21(28)8-6-19)31-23-17-20(12-16-33(23)25)18-10-14-32(4)15-11-18/h5-9,12-13,16-18H,10-11,14-15H2,1-4H3
InChIKeyGAUOHOYZLWYWIA-UHFFFAOYSA-N
XLogP5.70
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.57
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine (CID 11201597) is 3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine is CN1CCC(c2ccn3c(-c4ccnc(C(C)(C)C)n4)c(-c4ccc(F)cc4)nc3c2)CC1.
What is the InChIKey of 3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine?
The InChIKey is GAUOHOYZLWYWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5/c1-27(2,3)26-29-13-9-22(30-26)25-24(19-5-7-21(28)8-6-19)31-23-17-20(12-16-33(23)25)18-10-14-32(4)15-11-18/h5-9,12-13,16-18H,10-11,14-15H2,1-4H3.
What are the key properties of 3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine?
3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine has a molecular weight of 443.57 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 11201597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).