N-cyclobutyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide

C28H26F4N4O2 — CID 66555976

IUPACN-cyclobutyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4)cn23)ccc1C(=O)NC1CCC1
InChIInChI=1S/C28H26F4N4O2/c1-17-12-18(8-9-23(17)27(37)35-20-5-3-6-20)25-15-34-26-24(33-11-10-28(30,31)32)14-22(16-36(25)26)38-21-7-2-4-19(29)13-21/h2,4,7-9,12-16,20,33H,3,5-6,10-11H2,1H3,(H,35,37)
InChIKeyZWYYMZXNKYVQHW-UHFFFAOYSA-N
MW526.53 g/mol
LogP6.89
Rot. Bonds8

About N-cyclobutyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide

N-cyclobutyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide (PubChem CID 66555976) has the molecular formula C28H26F4N4O2 and a molecular weight of 526.53 g/mol. Its IUPAC name is N-cyclobutyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclobutyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
PubChem CID66555976
Molecular FormulaC28H26F4N4O2
Molecular Weight526.53 g/mol
Exact Mass526.20
IUPAC NameN-cyclobutyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4)cn23)ccc1C(=O)NC1CCC1
InChIInChI=1S/C28H26F4N4O2/c1-17-12-18(8-9-23(17)27(37)35-20-5-3-6-20)25-15-34-26-24(33-11-10-28(30,31)32)14-22(16-36(25)26)38-21-7-2-4-19(29)13-21/h2,4,7-9,12-16,20,33H,3,5-6,10-11H2,1H3,(H,35,37)
InChIKeyZWYYMZXNKYVQHW-UHFFFAOYSA-N
XLogP6.89
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.53
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
The IUPAC name of N-cyclobutyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide (CID 66555976) is N-cyclobutyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-cyclobutyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-cyclobutyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide is Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4)cn23)ccc1C(=O)NC1CCC1.
What is the InChIKey of N-cyclobutyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
The InChIKey is ZWYYMZXNKYVQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F4N4O2/c1-17-12-18(8-9-23(17)27(37)35-20-5-3-6-20)25-15-34-26-24(33-11-10-28(30,31)32)14-22(16-36(25)26)38-21-7-2-4-19(29)13-21/h2,4,7-9,12-16,20,33H,3,5-6,10-11H2,1H3,(H,35,37).
What are the key properties of N-cyclobutyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
N-cyclobutyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide has a molecular weight of 526.53 g/mol, XLogP of 6.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 66555976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).